SCHEMBL9844933

SCHEMBL9844933

O=C(O)c1c(Cl)n(C2CC2)c2ncc(F)cc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.33
CYP1A2 P05177 6/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 2/20 0.32
MAPK1 P28482 2/20 0.32
PIK3CA P42336 1/20 0.32
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31
CYP11B2 P19099 1/20 0.31
OPRL1 P41146 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
DPP4 P27487 2/20 0.31
NOTUM Q6P988 1/20 0.31
EZH2 Q15910 1/20 0.31

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
SCHEMBL27283744 0.78 DDB1 (0.40)
SCHEMBL6052822 0.78 PER2 (0.37) ALDH1A1OPRM1OPRD1OPRK1OGFRL1
SCHEMBL10594808 0.76 CYP11B2 (0.35) HTR3ACYP1A2CYP2C9TSHRCYP3A4
SCHEMBL27291683 0.75 OPRM1 (0.38) TSHRCYP11B2OPRL1OPRM1OPRD1
SCHEMBL9014024 0.74 PRKD3 (0.40) CYP1A2CYP2C9ALDH1A1PIK3CACYP11B2
SCHEMBL9316462 0.74 TIPARP (0.35) HTR3ACYP1A2CYP3A4PIK3CA
SCHEMBL29086080 0.74
SCHEMBL30585821 0.74
SCHEMBL10574955 0.73 EZH2 (0.33) HTR3ACYP1A2ALDH1A1TNFLITAF
SCHEMBL15134878 0.73 PDE2A (0.36) CYP1A2ALDH1A1OPRM1OPRD1NOTUM

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
EP-0424850-A1 Quinolone compounds and a process for their preparation KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1991-05-02 EP disclosed