SCHEMBL6934949

SCHEMBL6934949

COc1cccc(Sc2ccccc2CC#N)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HTR3A P46098 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
DHFR P00374 1/20 0.44
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP12 P39900 4/20 0.43
NPC1 O15118 1/20 0.43
IDO1 P14902 1/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
AR P10275 1/20 0.41
MMP14 P50281 1/20 0.41
HSP90AA1 P07900 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
EDNRA P25101 1/20 0.39

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 0.89 KMT2A (0.49) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL6937792 0.84 MEN1 (0.65) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL13381798 0.82 MEN1 (0.70) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL6935793 0.81 HTR1A (0.52) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL6937175 0.81 HTR1A (0.52) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL14098340 0.81 AR (0.53) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL10359006 0.79 SLC6A4 (0.66) HTR1AHTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL6540104 0.79 TAAR1 (0.50) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL8590717 0.78 CHRNA7 (0.49) HTR1AHTR3AMEN1KMT2APOLB
SCHEMBL1563614 0.78 MTNR1A (0.42) MEN1KMT2ANPC1IDO1ABCG2

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