SCHEMBL5330760

SCHEMBL5330760

O=C(CCc1ccc(Br)cc1)Nc1sccc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.72
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
PTPN2 P17706 1/20 0.51
PTPRB P23467 1/20 0.51
PTPN6 P29350 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
ABCC1 P33527 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK8 P45983 4/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL5296521 0.85 NPC1 (0.77) HCAR2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5066827 0.85 HCAR2 (0.83) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL5330080 0.81 HCAR2 (0.72) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL13781546 0.79 HCAR2 (0.62) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL10741084 0.77 PTPN2 (0.62) HCAR2RAB9ANPC1PTPN2PTPRB
SCHEMBL5294571 0.77 HCAR2 (0.71) HCAR2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4752200 0.77 RAB9A (0.52) RAB9ANPC1PTPN2PTPRBPTPN6
SCHEMBL5334252 0.77 HCAR2 (0.49) HCAR2POLBHDAC1HDAC6
SCHEMBL5300923 0.76 HCAR2 (0.65) HCAR2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL27521280 0.76 HCAR2 (0.73) HCAR2

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 1 patent. 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