SCHEMBL28532205

SCHEMBL28532205

Cc1c(-c2cccc(Cl)c2)c2c(-c3cncn3C)c(-c3ccc(Cl)cc3)ccc2n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
FNTA P49354 13/20 0.44
FNTB P49356 13/20 0.44
PGGT1B P53609 2/20 0.39
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7854707 0.74 IDO1 (0.47) IDO1FNTAFNTBPGGT1B
SCHEMBL5820636 0.71 IDO1 (0.49) IDO1FNTAFNTBCYP1A2CYP2C9
SCHEMBL23539669 0.69 IDO1 (1.00) IDO1FNTAFNTBPGGT1B
SCHEMBL30042691 0.69 IDO1 (1.00) IDO1FNTAFNTBPGGT1B
SCHEMBL7095527 0.69 IDO1 (0.44) IDO1FNTAFNTBPGGT1B
SCHEMBL7624672 0.68 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL7115622 0.67 IDO1 (0.42) IDO1FNTAFNTBPGGT1BCYP1A2
SCHEMBL28524599 0.67 GABRA5 (0.46) IDO1
SCHEMBL6556599 0.67 IDO1 (0.44) IDO1FNTAFNTBPGGT1B
SCHEMBL7091956 0.67 IDO1 (0.47) IDO1FNTAFNTBPGGT1BCYP1A2

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
CN-112424149-A Synthesis of tipifarnib 库拉肿瘤学公司 2021-02-26 CN disclosed