SCHEMBL121708

SCHEMBL121708

[c]1cc(-c2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.36
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16033234 0.83 MAPT (0.55) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL989498 0.79 CYP2A6 (0.60) ALDH1A1SMN1; SMN2CYP2E1CYP2A6CYP2B6
SCHEMBL5541598 0.77 CYP1A2 (0.41) NOTUMNPC1RAB9ASMN1; SMN2CYP2A6
SCHEMBL432470 0.77 MAPK14 (0.38) ALDH1A1NPC1RAB9ABCL2L1KDM4E
SCHEMBL6860806 0.77 NISCH (0.39) NOTUMALDH1A1NISCHNPC1RAB9A
SCHEMBL5542344 0.76 TAAR1 (0.44) NOTUMALDH1A1NISCHMAPTMEN1
SCHEMBL12468953 0.74 CYP2A6 (0.40) ATMNPC1RAB9ACYP2A6MEN1
SCHEMBL2123870 0.74 KDM4E (0.50) ALDH1A1ATMNPC1RAB9AMAPK1
SCHEMBL988617 0.73 CYP2A6 (0.45) ALDH1A1ATMCYP2A6MAPTLMNA
SCHEMBL9431454 0.73 MAPT (0.59) NOTUMALDH1A1NPC1RAB9AMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 372 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116970127-B Ion-conducting cross-linked product, preparation method thereof and anion exchange membrane 固碳新能源科技(苏州)有限公司 2024-01-26 CN claimed
CN-116970127-A Ion-conducting cross-linked product, preparation method thereof and anion exchange membrane 固碳新能源科技(苏州)有限公司 2023-10-31 CN claimed
CN-114437087-B N-containing organic compound and application thereof in organic light-emitting device and panel 武汉天马微电子有限公司 2023-06-30 CN claimed
CN-114437087-A N-containing organic compound and application thereof in organic light-emitting device and panel 武汉天马微电子有限公司 2022-05-06 CN claimed
CN-111440146-A Benzotriazine compound with PAR4 antagonistic activity and application thereof 中国药科大学 2020-07-24 CN claimed
WO-2015057992-A1 BTK INHIBITORS FOR HEMATOPOIETIC MOBILIZATION IZUMI RAQUEL (US) 2015-04-23 WO claimed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 WO claimed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO claimed
US-5346893-A Treatment of transplantation rejection, autoimmune diseases; antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-09-13 US claimed
WO-1993018043-A1 NOVEL RAPAMYCIN 42-SULFONATES AND 42-(N-CARBOALKOXY)SULFAMATES USEFUL AS IMMUNOSUPPRESSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-16 WO claimed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
EP-4342883-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT Tosoh Corporation (JP) 2024-03-27 EP disclosed
CN-116970127-B Ion-conducting cross-linked product, preparation method thereof and anion exchange membrane 固碳新能源科技(苏州)有限公司 2024-01-26 CN disclosed
CN-116970127-A Ion-conducting cross-linked product, preparation method thereof and anion exchange membrane 固碳新能源科技(苏州)有限公司 2023-10-31 CN disclosed
CN-114437087-B N-containing organic compound and application thereof in organic light-emitting device and panel 武汉天马微电子有限公司 2023-06-30 CN disclosed
US-5021581-A Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
EP-0391721-A2 Ocular hypotensive agents Sankyo Company Limited (JP) 1990-10-10 EP disclosed
CN-1037141-A The alkylamine derivative that replaces BANYU PHARMA CO LTD (JP) 1989-11-15 CN disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed
US-4427693-A ANTIARTHRITIC AGENTS; ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-01-24 US disclosed