SCHEMBL7789039

SCHEMBL7789039

COc1ccc(C(NCCc2cccc(F)c2)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NFE2L2 Q16236 1/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 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
SCHEMBL7780743 0.90 KMT2A (0.52) KMT2AALDH1A1MEN1PKMLMNA
SCHEMBL7785132 0.84 SIGMAR1 (0.48) KMT2AALDH1A1MEN1PKMTDP1
SCHEMBL7787602 0.82 ALDH1A1 (0.44) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL7787614 0.82 GAA (0.48) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL27530416 0.82 GRM8 (0.50) KMT2AALDH1A1MEN1CNR2L3MBTL1
SCHEMBL27530411 0.82 GRM8 (0.50) KMT2AALDH1A1MEN1CNR2L3MBTL1
SCHEMBL7785650 0.80 KMT2A (0.50) KMT2AALDH1A1MEN1PKMLMNA
SCHEMBL7780373 0.79 LMNA (0.48) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL7780405 0.79 LMNA (0.48) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL7780402 0.79 GRM8 (0.55) KMT2AALDH1A1MEN1PKMLMNA

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 1 patent. 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