SCHEMBL6235013

SCHEMBL6235013

Oc1ccc(-c2cccc(C(F)(F)F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.57
MAOB P27338 4/20 0.57
IDO1 P14902 1/20 0.53
KMO O15229 2/20 0.50
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
MAOA P21397 2/20 0.49
DHODH Q02127 1/20 0.48
SCN2A Q99250 2/20 0.48
XDH P47989 1/20 0.47
CTSS P25774 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45

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
SCHEMBL19281401 0.85 KDM1A (0.55) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL1416558 0.85 KDM1A (0.61) KDM1AMAOBIDO1KMOMAOA
SCHEMBL29995340 0.85 KDM1A (0.55) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL6236148 0.82 KDM1A (0.58) KDM1AMAOBIDO1KMOMAOA
SCHEMBL6234240 0.81 KDM1A (0.64) KDM1AMAOBIDO1KMOMAOA
SCHEMBL27956294 0.81 HSD17B1 (0.63) KDM1AMAOBIDO1HSD17B1HSD17B2
SCHEMBL10093051 0.81 DHODH (0.57) KDM1AMAOBIDO1KMOMAOA
SCHEMBL6240438 0.81 KDM1A (0.57) KDM1AMAOBIDO1KMOMAOA
SCHEMBL19992829 0.81 KDM1A (0.57) KDM1AMAOBIDO1KMOMAOA
SCHEMBL4591309 0.80 MAOB (0.53) KDM1AMAOBIDO1KMOMAOA

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed