SCHEMBL6668355

SCHEMBL6668355

O=C(NC(Cc1ccc(Cl)cc1)Sc1ccc(Cl)cc1)c1c[nH]c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KCNH2 Q12809 5/20 0.42
KMT2A Q03164 2/20 0.41
POLA1 P09884 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NHERF1 O14745 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7845993 0.83 KCNH2 (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6667414 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6701500 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6673054 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL7843014 0.81 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6670167 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL7848232 0.79 KCNH2 (0.46) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL7848276 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6205197 0.78 POLB (0.61) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL6667855 0.78 KMT2A (0.47) KDM4EALDH1A1HPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed