SCHEMBL4659435

SCHEMBL4659435

C/C(=C/F)Cc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
MAOB P27338 1/20 0.42
MAPK8 P45983 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 1/20 0.38
BACE1 P56817 1/20 0.38
P2RX7 Q99572 3/20 0.38
RIPK1 Q13546 2/20 0.38
SIGMAR1 Q99720 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 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
SCHEMBL4659409 0.85 MAPK8 (0.40) MAPK8SMN1; SMN2RIPK1SIGMAR1MAPT
SCHEMBL434355 0.80 IDO1 (0.48) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL4660558 0.78 RIPK1 (0.41) RIPK1
SCHEMBL9729674 0.78 IDO1 (0.47) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL1699443 0.77 MAOB (0.51) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL1294689 0.75 MAOB (0.47) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL1294690 0.75 MAOB (0.47) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL1296041 0.75 MAOB (0.47) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL10364722 0.74 IDO1 (0.43) IDO1AGXTMAOBMAPK8KDM4E
SCHEMBL10364723 0.74 IDO1 (0.43) IDO1AGXTMAOBMAPK8KDM4E

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