SCHEMBL6937792

SCHEMBL6937792

COc1ccc(Sc2ccccc2CC#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.65
MMP2 P08253 6/20 0.56
MMP9 P14780 6/20 0.56
MMP12 P39900 6/20 0.56
MMP14 P50281 1/20 0.52
HTR1A P08908 1/20 0.46
HTR3A P46098 1/20 0.46
BCL2 P10415 1/20 0.43
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.40
SLC6A9 P48067 1/20 0.40
PTGIR P43119 1/20 0.40

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
SCHEMBL7108668 0.87 KMT2A (0.49) MEN1KMT2APOLBMMP2MMP9
SCHEMBL6934949 0.84 HTR1A (0.49) MEN1KMT2APOLBMMP2MMP9
SCHEMBL8590717 0.82 CHRNA7 (0.49) MEN1KMT2APOLBHTR1AHTR3A
SCHEMBL14098340 0.81 AR (0.53) MEN1KMT2APOLBMMP2MMP9
SCHEMBL11252021 0.80 LMNA (0.44) MEN1KMT2APOLBHTR1AHTR3A
SCHEMBL953112 0.80 SLC6A4 (0.58) MEN1KMT2APOLBHTR1AHTR3A
SCHEMBL4808474 0.80 MEN1 (0.66) MEN1KMT2APOLBMMP2MMP9
SCHEMBL6931980 0.80 MEN1 (0.66) MEN1KMT2APOLBMMP2MMP9
SCHEMBL11756500 0.78 SLC6A4 (0.43) MEN1KMT2APOLBMMP2MMP9
SCHEMBL11875217 0.78 SLC6A4 (0.46) MEN1KMT2APOLBMMP2MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed