SCHEMBL7956784

SCHEMBL7956784

Cc1ccc(C(C)C(=O)c2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
LMNA P02545 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
AKR1C3 P42330 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7956932 1.00 HIF1A (0.50) HIF1ALMNAITGB3ITGA2BMAPT
SCHEMBL171845 0.78 MAPT (0.63) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL12082812 0.76 LMNA (0.69) LMNAMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7958674 0.76 MAPT (0.51) LMNAMAPTSMN1; SMN2HTTNPC1
Hydrochloric Acid SCHEMBL8837986 0.74 ITGB3 (0.47) HIF1AITGB3ITGA2BSMN1; SMN2ALDH1A1
SCHEMBL7956272 0.74 NPC1 (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6323362 0.73 ITGB3 (0.48) LMNAITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL7956788 0.73 ITGB3 (0.48) LMNAITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL7947476 0.72 F2 (0.46) HIF1ALMNAITGB3ITGA2BMAPT
SCHEMBL17888359 0.72 LMNA (0.63) LMNAMAPTSMN1; SMN2HTTALDH1A1

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed