SCHEMBL5334252

SCHEMBL5334252

O=C(CCc1ccc(Br)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 14/20 0.49
KDM6B O15054 1/20 0.49
KDM4D Q6B0I6 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5302379 0.86 KDM4E (0.54) KDM4ETDP1CYP2C9HDAC1HDAC6
SCHEMBL5062205 0.85 HCAR2 (0.64) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL5293834 0.82 HCAR2 (0.54) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL27521280 0.81 HCAR2 (0.73) HCAR2KDM4ECYP2C8CYP2C9
SCHEMBL5301209 0.80 HCAR2 (0.59) HCAR2HDAC1POLB
SCHEMBL5301758 0.80 HCAR2 (0.52) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL13781545 0.80 HCAR2 (0.63) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL5295939 0.79 HCAR2 (0.51) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL5328705 0.78 KDM6B (0.56) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL14609869 0.78 HCAR2 (0.57) HCAR2KDM6BKDM4DKDM4CEGLN3

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