SCHEMBL7780397

SCHEMBL7780397

COc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
PTGS2 P35354 2/20 0.45
CDK2 P24941 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
KMT2A Q03164 6/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 5/20 0.43
GAA P10253 1/20 0.42
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42

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
SCHEMBL7785268 0.91 NPC1 (0.45) NPC1POLBRAB9APTGS2CDK2
SCHEMBL7804248 0.85 PTGS2 (0.49) NPC1POLBRAB9APTGS2CDK2
SCHEMBL7789113 0.83 KMT2A (0.44) NPC1POLBRAB9ATDP1KMT2A
SCHEMBL7780087 0.80 KMT2A (0.45) POLBMAPTLMNATDP1KMT2A
SCHEMBL7784939 0.80 KMT2A (0.51) NPC1POLBRAB9APTGS2CDK2
SCHEMBL7784907 0.80 SIGMAR1 (0.44) POLBLMNATDP1KMT2AMEN1
SCHEMBL7785217 0.78 FAAH (0.51) NPC1POLBRAB9ACDK2MAPT
SCHEMBL7780337 0.78 ALDH1A1 (0.40) POLBLMNATDP1KMT2AMEN1
SCHEMBL7785061 0.78 KMT2A (0.44) POLBMAPTLMNATDP1KMT2A
SCHEMBL7804254 0.77 NPC1 (0.46) NPC1POLBRAB9APTGS2CDK2

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed