SCHEMBL5294571

SCHEMBL5294571

O=C(CCc1ccc(-c2ccccn2)cc1)Nc1sccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.71
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
CYP2C8 P10632 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 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
SCHEMBL5301445 0.88 RAB9A (0.70) HCAR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL5066827 0.86 HCAR2 (0.83) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL5330080 0.84 HCAR2 (0.72) HCAR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL5292909 0.83 HCAR2 (0.69) HCAR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL14340846 0.83 HCAR2 (1.00) HCAR2CYP2C8CYP2C9MEN1KMT2A
SCHEMBL14609515 0.82 HCAR2 (0.78) HCAR2CYP2C8CYP2C9HPGDKDM4E
SCHEMBL5330760 0.77 HCAR2 (0.72) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL5309261 0.77 HCAR2 (0.60) HCAR2RAB9ANPC1HPGDALDH1A1
SCHEMBL5308463 0.76 HCAR2 (0.64) HCAR2RAB9ANPC1HPGDPOLB
SCHEMBL13781546 0.75 HCAR2 (0.62) HCAR2RAB9ANPC1POLBSMN1; SMN2

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