SCHEMBL7789152

SCHEMBL7789152

COc1ccc(C(NCCCc2ccccc2)c2cccc(N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.41
MTNR1A P48039 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
CASR P41180 1/20 0.41
PTGDR Q13258 1/20 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
SCHEMBL7785046 0.93 TDP1 (0.49) SIGMAR1TDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7780342 0.84 KMT2A (0.54) TDP1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL7780393 0.84 SLC6A3 (0.46) SIGMAR1ALDH1A1LMNATSHR
SCHEMBL7787602 0.82 ALDH1A1 (0.44) TDP1ALDH1A1LMNAKMT2AGAA
SCHEMBL7787942 0.82 TDP1 (0.49) TDP1ALDH1A1LMNAKMT2AGAA
SCHEMBL7785132 0.81 SIGMAR1 (0.48) SIGMAR1TDP1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7785210 0.81 SIGMAR1 (0.43) SIGMAR1TDP1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7785087 0.81 RAB9A (0.52) SIGMAR1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL7789351 0.81 TDP1 (0.41) TDP1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL7780357 0.80 TDP1 (0.47) TDP1ALDH1A1LMNAKMT2AGAA

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