SCHEMBL7780773

SCHEMBL7780773

COc1ccccc1C(N[C@@H](C)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
LMNA P02545 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL7785688 0.85 CRHBP (0.44) SMN1; SMN2KMT2AMEN1PGRAR
SCHEMBL7787619 0.85 PFKFB3 (0.42) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL7780359 0.84 MAPT (0.41) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL7780405 0.84 LMNA (0.48) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL7780373 0.84 LMNA (0.48) SMN1; SMN2RAB9AKMT2AMEN1MAPT
SCHEMBL7780407 0.81 KRAS (0.41) SMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL7785661 0.80 MAPK1 (0.39) SMN1; SMN2RAB9AKMT2AMEN1CYP3A4
SCHEMBL7785302 0.80 HTT (0.46) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL7789050 0.79 ALDH1A1 (0.40) SMN1; SMN2KMT2AMEN1CYP3A4CYP2D6
SCHEMBL7780324 0.78 CRHBP (0.47) SMN1; SMN2KMT2AMEN1MAPTALDH1A1

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