SCHEMBL4660680

SCHEMBL4660680

O=C(CNC(=O)O)Cc1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
SRC P12931 2/20 0.49
POLB P06746 1/20 0.49
VNN1 O95497 1/20 0.47
TP53 P04637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
CNR2 P34972 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC1A1 P43005 2/20 0.43
MAPK8 P45983 1/20 0.43

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
SCHEMBL6606077 0.83 KMT2A (0.42) RAB9ASRCPOLBTP53ALDH1A1
SCHEMBL6864466 0.82 TAAR1 (0.50) RAB9ASRCVNN1TAAR1MAPK1
SCHEMBL4659414 0.82 CTBP2 (0.54) RAB9APOLBALDH1A1MAPK8
SCHEMBL27814786 0.81 FFAR1 (0.49) RAB9ASRCPOLBVNN1MAPK1
SCHEMBL11178482 0.81 SRC (0.55) RAB9ASRCPOLBVNN1CNR2
SCHEMBL4582402 0.81 CES1 (0.52) RAB9AALDH1A1
SCHEMBL4659471 0.80 MEN1 (0.58) RAB9APOLBALDH1A1SIGMAR1MAPK8
SCHEMBL7965958 0.80 RAB9A (0.51) RAB9APOLBVNN1TP53ALDH1A1
SCHEMBL3109722 0.80 SRC (0.61) RAB9ASRCPOLBTP53ALDH1A1
SCHEMBL29699631 0.80 SRC (0.61) RAB9ASRCPOLBTP53ALDH1A1

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-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed