SCHEMBL7784939

SCHEMBL7784939

COc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccc(N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDK4 P11802 2/20 0.48
CCND1 P24385 2/20 0.48
CDK2 P24941 1/20 0.47
HAT1 O14929 2/20 0.46
EP300 Q09472 2/20 0.46
GPR84 Q9NQS5 1/20 0.46
PTGS2 P35354 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46

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
SCHEMBL7785217 0.84 FAAH (0.51) KMT2ANPC1POLBRAB9AMEN1
SCHEMBL7785268 0.83 NPC1 (0.45) KMT2ANPC1POLBRAB9AMEN1
SCHEMBL7780397 0.80 NPC1 (0.46) KMT2ANPC1POLBRAB9AMEN1
SCHEMBL7785046 0.80 TDP1 (0.49) KMT2ANPC1POLBRAB9AMEN1
SCHEMBL7780342 0.76 KMT2A (0.54) KMT2AMEN1MAPTLMNATDP1
SCHEMBL7789152 0.76 SIGMAR1 (0.53) KMT2AMEN1LMNATDP1SMN1; SMN2
SCHEMBL13720170 0.75 NPC1 (0.59) KMT2ANPC1POLBRAB9AMEN1
SCHEMBL7789351 0.75 TDP1 (0.41) KMT2AMEN1MAPTLMNATDP1
SCHEMBL7787602 0.74 ALDH1A1 (0.44) KMT2AMEN1MAPTLMNATDP1
SCHEMBL7787942 0.73 TDP1 (0.49) KMT2AMEN1MAPTLMNATDP1

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed