SCHEMBL9601660

SCHEMBL9601660

CN(CC(=O)O)C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
FFAR1 O14842 10/20 0.48
MAOB P27338 1/20 0.46
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
HTT P42858 1/20 0.44
NSD2 O96028 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
CTBP2 P56545 1/20 0.40
SLC22A12 Q96S37 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
SCHEMBL5316193 0.84 KMT2A (0.46) KMT2AFFAR1MMP12MMP13HTT
SCHEMBL5338091 0.82 KMT2A (0.45) KMT2AFFAR1MMP12MMP13HTT
SCHEMBL5317107 0.81 KMT2A (0.44) KMT2AFFAR1MMP12MMP13HTT
SCHEMBL7374914 0.81 KMT2A (0.72) KMT2AFFAR1HTTFFAR4
SCHEMBL1337387 0.79 FFAR1 (0.69) FFAR1MMP12MMP13HTTFFAR4
Hydrochloric Acid SCHEMBL7956222 0.77 FFAR1 (0.67) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL14183081 0.75 POLB (0.59) KMT2AMAOBMMP12MMP13HTT
SCHEMBL1507376 0.74 ALDH1A1 (0.57) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL7338789 0.73 FFAR1 (0.53) FFAR1MMP12MMP13HTTFFAR4
SCHEMBL29965012 0.73 MAOB (0.52) MAOBMMP12MMP13HTTNSD2

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
EP-0574545-A1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1993-12-22 EP disclosed
WO-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed