SCHEMBL7780316

SCHEMBL7780316

COc1ccc(C(N[C@H](C)c2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 1/20 0.41
TP53 P04637 1/20 0.40
CASR P41180 2/20 0.40
GPR139 Q6DWJ6 2/20 0.40

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
SCHEMBL7784989 0.97 ACP3 (0.45) ACP3ALDH1A1LMNAGAAPKM
SCHEMBL7780312 0.92 ACP3 (0.41) ACP3ALDH1A1LMNAGAAPKM
SCHEMBL7780321 0.91 KMT2A (0.48) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7780421 0.91 CASR (0.51) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7784919 0.90 ACP3 (0.40) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7789123 0.90 MEN1 (0.48) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7784931 0.89 SIGMAR1 (0.42) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7780579 0.89 SIGMAR1 (0.42) ACP3ALDH1A1LMNAGAAKMT2A
SCHEMBL7787542 0.87 CASR (0.40) ACP3ALDH1A1LMNAGAAPKM
SCHEMBL7785574 0.87 ALDH1A1 (0.45) ACP3ALDH1A1LMNAGAAKMT2A

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