SCHEMBL15079440

SCHEMBL15079440

Cc1ccc(Cl)cc1-c1cc[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.58
AGPAT2 O15120 7/20 0.43
JAK2 O60674 2/20 0.40
CYP3A4 P08684 1/20 0.38
AR P10275 1/20 0.38
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
DYRK1A Q13627 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAP4K4 O95819 1/20 0.36
POLB P06746 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
SCHEMBL24521445 0.81 MEN1 (0.39) IDO1JAK2AR
SCHEMBL11624239 0.81 IDO1 (0.56) IDO1AGPAT2F7F3DYRK1A
SCHEMBL13963717 0.79 NISCH (0.45) IDO1AGPAT2CYP3A4AR
SCHEMBL29785807 0.79 PLA2G7 (0.42) IDO1CYP3A4DYRK1APOLB
SCHEMBL31039366 0.79 IDO1 (0.38) IDO1F7F3DYRK1A
SCHEMBL14400038 0.79 IDO1 (0.58) IDO1CYP3A4F7F3DYRK1A
SCHEMBL6031031 0.79 IDO1 (0.58) IDO1AGPAT2
SCHEMBL14371098 0.78 ALDH1A1 (0.41) IDO1F7F3DYRK1APOLB
SCHEMBL3846339 0.78 ALPL (0.49) IDO1F7F3DYRK1A
SCHEMBL22810391 0.76 IDO1 (0.37) IDO1

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-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed