SCHEMBL27413780

SCHEMBL27413780

CCc1ccc2c(C)c(COCc3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ PTGES O14684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ CTSV O60911 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ AR P10275 2/20 0.38
▸ HPGD P15428 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
SCHEMBL27409224 0.83 KIF11 (0.44) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL27532886 0.81 KIF11 (0.50) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL27410225 0.78 DAO (0.49) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL27388577 0.77 PTGS2 (0.53) KIF11RAB9AMAPTALDH1A1KDM4E
SCHEMBL9312351 0.75 DAO (0.44) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL9566941 0.74 KIF11 (0.42) KIF11RAB9APTGESCYP2C9POLB
SCHEMBL27420343 0.74 KDM4E (0.46) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL27411716 0.74 KIF11 (0.43) KIF11RAB9APTGESCYP2C9MAPT
SCHEMBL9308464 0.74 KDM4E (0.45) KIF11RAB9AMAPTALDH1A1KDM4E
SCHEMBL27532885 0.74 PDE9A (0.49) KIF11RAB9AMAPTALDH1A1KDM4E

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-1077192-A The 2-oxoquinoline derivatives MERCK PATENT GMBH (DE) 1993-10-13 — — CN disclosed
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