SCHEMBL5300923

SCHEMBL5300923

COc1cccc(OC)c1-c1ccc(CCC(=O)Nc2sccc2C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.65
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
LTB4R Q15722 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK8 P45983 1/20 0.46
POLB P06746 2/20 0.44
GALR3 O60755 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 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
SCHEMBL5307210 0.91 NPC1 (0.69) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5308463 0.88 HCAR2 (0.64) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5306921 0.84 LTB4R (0.53) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5066827 0.82 HCAR2 (0.83) HCAR2RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5299672 0.82 HCAR2 (0.53) HCAR2LTB4RSMN1; SMN2KDM4E
SCHEMBL5292231 0.80 LMNA (0.57) SMN1; SMN2MEN1KMT2AMAPK8TDP1
SCHEMBL5293614 0.79 RAB9A (0.54) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5061069 0.78 RAB9A (0.86) HCAR2RAB9ANPC1LTB4RSMN1; SMN2
SCHEMBL5330760 0.76 HCAR2 (0.72) HCAR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5330080 0.76 HCAR2 (0.72) HCAR2RAB9ANPC1SMN1; SMN2POLB

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