SCHEMBL7785217

SCHEMBL7785217

COc1ccc(C(NCCc2c[nH]c3ccccc23)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
HTR2A P28223 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
CDK2 P24941 3/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7784939 0.84 KMT2A (0.51) KMT2AMEN1HTR2ANPC1POLB
SCHEMBL7780743 0.81 KMT2A (0.52) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL7785650 0.78 KMT2A (0.50) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL7780397 0.78 NPC1 (0.46) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL7785132 0.78 SIGMAR1 (0.48) PKMKMT2AMEN1NPC1RAB9A
SCHEMBL7785268 0.78 NPC1 (0.45) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL7789039 0.76 KMT2A (0.46) PKMKMT2AMEN1NPC1POLB
SCHEMBL7787446 0.76 MAPT (0.52) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL7785114 0.74 SMN1; SMN2 (0.48) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL7787787 0.74 ALDH1A1 (0.48) PKMKMT2AMEN1NPC1RAB9A

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 3 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
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed