SCHEMBL7299402

SCHEMBL7299402

O=C(O)Cc1cccc2nsnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 5/20 0.56
CASP1 P29466 3/20 0.56
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.46
CASP7 P55210 2/20 0.45
TSHR P16473 2/20 0.45
AKR1B1 P15121 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7298281 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL762893 0.78 KMT2A (0.56) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL13957361 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL2805013 0.74 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL25399698 0.74 MAPT (0.57) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL2291662 0.74 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL3713718 0.74 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7319949 0.73 TSHR (0.52) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL1338456 0.73 L3MBTL1 (0.61) KDM4EALDH1A1HPGDHSD17B10CASP1
Hydrochloric Acid SCHEMBL25401492 0.73 MAPT (0.55) KDM4EALDH1A1HPGDHSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304789-B1 BENZIMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
US-4925854-A Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0304789-A2 Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed