SCHEMBL903110

SCHEMBL903110

Cc1onc(-c2ccccc2)c1C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 1.00
GAA P10253 1/20 1.00
HSD17B10 Q99714 2/20 0.64
TSHR P16473 5/20 0.63
POLB P06746 3/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
MAPK1 P28482 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALOX15 P16050 1/20 0.57

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
Hydrochloric Acid SCHEMBL30684542 0.98 KMT2A (0.97) KMT2AMEN1GAAHSD17B10TSHR
Hydrochloric Acid SCHEMBL30684473 0.98 KMT2A (0.97) KMT2AMEN1GAAHSD17B10TSHR
SCHEMBL27722453 0.86 KMT2A (0.76) KMT2AMEN1GAATSHRPOLB
SCHEMBL316093 0.86 KMT2A (0.76) KMT2AMEN1GAATSHRPOLB
Hydrochloric Acid SCHEMBL4846563 0.85 KMT2A (0.73) KMT2AMEN1GAATSHRPOLB
SCHEMBL1574735 0.85 KMT2A (0.73) KMT2AMEN1GAATSHRPOLB
SCHEMBL4718673 0.84 KMT2A (0.72) KMT2AMEN1GAAHSD17B10TSHR
SCHEMBL10929681 0.83 KMT2A (0.71) KMT2AMEN1GAATSHRPOLB
SCHEMBL7608812 0.83 KMT2A (0.71) KMT2AMEN1GAATSHRPOLB
SCHEMBL1260007 0.83 KMT2A (0.71) KMT2AMEN1GAATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051074-C Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use HOECHST AG (DE) 2000-04-05 CN claimed
EP-0040494-B1 CARBAPENAMS AND CARBAPEN-2-EMS AND PROCESS THEREFOR PFIZER INC. (US) 1984-02-15 EP claimed
US-4429128-A CARBAPENICILLINS, THIENAMYCINS, BACTERICIDES PFIZER INC. (US) 1984-01-31 US claimed
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 US claimed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 EP claimed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US claimed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
CN-102174031-B 1,2,3-thiadiazole-1,3,4-thiadiazole compounds and preparation method and application thereof UNIV NANKAI 2013-05-08 CN disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
CN-102174031-A 1,2,3-thiadiazole-1,3,4-thiadiazole compounds and preparation method and application thereof UNIV NANKAI 2011-09-07 CN disclosed
US-7608590-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2009-10-27 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-4387051-A β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1983-06-07 US disclosed
EP-0073100-A1 Beta-lactam compounds, their preparation and their use BEECHAM GROUP PLC (GB) 1983-03-02 EP disclosed
EP-0067518-A1 Modified beta-lactam compounds BEECHAM GROUP PLC (GB) 1982-12-22 EP disclosed
US-4348264-A Photocatalyzed process for producing carbapenams and carbapen-2-ems PFIZER INC. (US) 1982-09-07 US disclosed
EP-0040494-A1 Carbapenams and carbapen-2-ems and process therefor PFIZER INC. (US) 1981-11-25 EP disclosed
EP-0034443-A2 Beta-lactam antibacterial compounds, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1981-08-26 EP disclosed
EP-0028497-A1 Beta-lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-13 EP disclosed