SCHEMBL5328705

SCHEMBL5328705

O=C(CCc1ccc(-c2cccnc2)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.56
KDM4D Q6B0I6 2/20 0.56
KDM4C Q9H3R0 2/20 0.56
EGLN3 Q9H6Z9 1/20 0.56
HCAR2 Q8TDS4 15/20 0.53
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
WNT3A P56704 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5062205 0.90 HCAR2 (0.64) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL14340811 0.86 HCAR2 (0.72) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL5302922 0.83 HCAR2 (0.57) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL22022931 0.82 HCAR2 (0.62) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL5293834 0.81 HCAR2 (0.54) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL3556827 0.81 NOTUM (0.51) HCAR2KMT2A
SCHEMBL14609697 0.81 HCAR2 (0.58) HCAR2CYP2C8CYP2C9
SCHEMBL14609515 0.80 HCAR2 (0.78) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL5301758 0.80 HCAR2 (0.52) KDM6BKDM4DKDM4CEGLN3HCAR2
SCHEMBL5301209 0.80 HCAR2 (0.59) HCAR2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO claimed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed
WO-2007015744-A1 DISUBSTITUTED THIENYL COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2007-02-08 WO disclosed