SCHEMBL8304401

SCHEMBL8304401

Nc1[c]oc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
NQO1 P15559 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
PGAM1 P18669 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
AGTR1 P30556 1/20 0.33
DDR2 Q16832 1/20 0.32

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
SCHEMBL18575031 0.71 MAOA (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL767093 0.71 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL546688 0.71 MAOA (0.34) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL221025 0.71 CYP1A2 (0.36) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL3235744 0.71 AHR (0.38) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1002037 0.71 CA12 (0.36) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL6863801 0.69 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL2958656 0.68 CA1 (0.36) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL10514896 0.67 L3MBTL1 (0.33) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL636934 0.67 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP claimed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US claimed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP claimed
CN-117580569-A Heterocyclic aldehyde capture compounds and uses thereof 奥尔德拉医疗公司 2024-02-20 CN disclosed
CN-115536646-A Nematicidal active compound and preparation method and application thereof 华东理工大学 2022-12-30 CN disclosed
CN-103703006-A Hcv protease inhibitors SHANGHAI TANGRUN PHARMACEUTICALS CO LTD 2014-04-02 CN disclosed
EP-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP disclosed
EP-0685475-B1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1999-01-13 EP disclosed
US-5622989-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed
EP-0685475-A1 Amino-benzofuryl-and thienyl-derivatives BAYER AG (DE) 1995-12-06 EP disclosed