SCHEMBL11071458

SCHEMBL11071458

C=CCNc1cccc(C(Br)=CC(=O)OCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39
PKM P14618 2/20 0.38
FFAR1 O14842 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
SCHEMBL11071456 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11297551 0.85 MAPT (0.41) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11297553 0.85 MAPT (0.41) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11155678 0.82 KMT2A (0.56) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11318573 0.79 MAPT (0.37) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11067487 0.75 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL11073671 0.75 EGFR (0.54) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL9487727 0.74 MAPT (0.50) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL10832665 0.74 AKR1C3 (0.45) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL877659 0.73 AKR1C3 (0.59) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed