SCHEMBL7785661

SCHEMBL7785661

COc1ccc(C(NC(C)c2ccc(F)c(F)c2)c2cccc([N+](=O)[O-])c2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
NFE2L2 Q16236 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36

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
SCHEMBL7787867 0.88 MAPK1 (0.45) MAPK1NPSR1AKR1C3AKR1C2MEN1
SCHEMBL7780352 0.88 MAPK1 (0.45) MAPK1NPSR1AKR1C3AKR1C2MEN1
SCHEMBL7787701 0.88 MAPK1 (0.45) MAPK1NPSR1AKR1C3AKR1C2MEN1
SCHEMBL7785507 0.87 MAPT (0.40) MAPK1NPSR1AKR1C3AKR1C2MEN1
SCHEMBL7784937 0.83 KRAS (0.37) MAPK1MEN1KMT2AMAPTALDH1A1
SCHEMBL7785707 0.82 MAPT (0.43) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL7785020 0.81 GAA (0.40) MAPK1NPSR1MEN1KMT2AMAPT
SCHEMBL7785144 0.81 AKR1C3 (0.48) AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2
SCHEMBL7784938 0.80 MAPK1 (0.45) MAPK1NPSR1AKR1C3AKR1C2MEN1
SCHEMBL7780773 0.80 SMN1; SMN2 (0.43) AKR1C3AKR1C2MEN1KMT2AMAPT

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