SCHEMBL7611546

SCHEMBL7611546

CNc1cc(Sc2ccc(Cl)cc2Cl)c(Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.54
ICAM1 P05362 6/20 0.54
ITGAL P20701 6/20 0.54
DHFR P00374 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
RHEB Q15382 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
Hydrochloric Acid SCHEMBL7610286 0.78 ITGB2 (0.68) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL7612648 0.76 ITGB2 (0.65) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL7610147 0.76 IDO1 (0.53) ITGB2ICAM1ITGALTSHRALDH1A1
SCHEMBL3165346 0.75 ITGB2 (0.72) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL7611442 0.75 ITGB2 (0.53) ITGB2ICAM1ITGALCYP3A4ALDH1A1
SCHEMBL7610324 0.72 ITGB2 (0.96) ITGB2ICAM1ITGALTSHRCYP3A4
SCHEMBL7611543 0.72 ITGB2 (0.31) ITGB2ICAM1ITGAL
SCHEMBL3075750 0.72 CYP3A4 (0.52) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL29464137 0.72 CYP3A4 (0.52) TSHRCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL1980735 0.72 ALDH1A1 (0.53) TSHRCYP3A4ALDH1A1MEN1MAPT

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
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed