SCHEMBL7192598

SCHEMBL7192598

Nc1ccc(Sc2ccc(N)c(Cl)c2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.73
ITGB2 P05107 2/20 0.56
ICAM1 P05362 2/20 0.56
ITGAL P20701 2/20 0.56
CYP3A4 P08684 7/20 0.50
TSHR P16473 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7606216 0.87 PDE7A (0.76) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7187848 0.85 PDE7A (1.00) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL1149093 0.81 PDE7A (0.85) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7189762 0.81 CYP3A4 (0.58) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL7187676 0.80 ITGB2 (0.80) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL272102 0.80 TSHR (0.54) PDE7ACYP3A4TSHRALDH1A1HPGD
SCHEMBL7183542 0.80 PDE7A (0.70) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL2034515 0.79 PDE7A (0.69) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL2030464 0.79 PDE7A (0.69) PDE7AITGB2ICAM1ITGALCYP3A4
SCHEMBL6852277 0.79 PDE7A (0.79) PDE7AITGB2ICAM1ITGALCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed