SCHEMBL5330080

SCHEMBL5330080

O=C(CCc1ccc(-c2nccs2)cc1)Nc1sccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.72
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
FFAR1 O14842 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRB2 P07550 1/20 0.44
TRPM4 Q8TD43 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
PKM P14618 1/20 0.43
KDM6B O15054 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
EGLN3 Q9H6Z9 1/20 0.43
ABCC1 P33527 1/20 0.41

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
SCHEMBL5066827 0.85 HCAR2 (0.83) HCAR2RAB9ANPC1FFAR1PTPN2
SCHEMBL5294571 0.84 HCAR2 (0.71) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL5330760 0.81 HCAR2 (0.72) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL5300923 0.76 HCAR2 (0.65) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL13781575 0.75 HCAR2 (0.73) HCAR2RAB9ANPC1CYP2C8CYP2C9
SCHEMBL5308463 0.75 HCAR2 (0.64) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL13781546 0.74 HCAR2 (0.62) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL5061069 0.73 RAB9A (0.86) HCAR2RAB9ANPC1POLBSMN1; SMN2
SCHEMBL10741084 0.72 PTPN2 (0.62) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL5301445 0.72 RAB9A (0.70) 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