SCHEMBL5306140

SCHEMBL5306140

O=C(CCc1ccc(-c2ccco2)cc1)Nc1cscc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 17/20 0.50
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM6B O15054 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL5302182 0.88 KDM4E (0.49) HCAR2KDM4EHPGDHSD17B10MEN1
SCHEMBL14340804 0.85 HCAR2 (0.70) HCAR2CYP2C8CYP2C9
SCHEMBL5062205 0.85 HCAR2 (0.64) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5293834 0.79 HCAR2 (0.54) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5295939 0.79 HCAR2 (0.51) HCAR2KDM4ECYP2C8CYP2C9KDM6B
SCHEMBL5334252 0.78 HCAR2 (0.49) HCAR2KDM4ECYP2C8CYP2C9KDM6B
SCHEMBL14609869 0.78 HCAR2 (0.57) HCAR2CYP2C8CYP2C9KDM6BKDM4D
SCHEMBL5328705 0.78 KDM6B (0.56) HCAR2MEN1KMT2ACYP2C8CYP2C9
SCHEMBL14609515 0.78 HCAR2 (0.78) HCAR2KDM4EHPGDMEN1KMT2A
SCHEMBL5302935 0.78 HCAR2 (0.76) HCAR2CYP2C8CYP2C9KDM6BKDM4D

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