SCHEMBL7515909

SCHEMBL7515909

Nc1ccc(Sc2ccc3ccccc3c2Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 1.00
▸ ICAM1 P05362 2/20 1.00
▸ ITGAL P20701 2/20 1.00
▸ PDE7A Q13946 4/20 0.51
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP3A4 P08684 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HBB P68871 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36

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 SCHEMBL7611387 0.84 ITGB2 (0.73) ITGB2ICAM1ITGALPDE7ACYP2A6
SCHEMBL7187676 0.79 ITGB2 (0.80) ITGB2ICAM1ITGALPDE7AALDH1A1
SCHEMBL2034515 0.78 PDE7A (0.69) ITGB2ICAM1ITGALPDE7ACYP2A6
SCHEMBL7515989 0.77 ITGB2 (0.63) ITGB2ICAM1ITGALPDE7ACYP2A6
SCHEMBL7515975 0.76 ITGB2 (0.61) ITGB2ICAM1ITGALPDE7AALDH1A1
Hydrochloric Acid SCHEMBL7615653 0.76 ITGB2 (0.70) ITGB2ICAM1ITGALPDE7AALDH1A1
Hydrochloric Acid SCHEMBL7611960 0.76 PDE7A (0.67) ITGB2ICAM1ITGALPDE7ACYP2A6
Hydrochloric Acid SCHEMBL7616837 0.76 ITGB2 (0.64) ITGB2ICAM1ITGALPDE7AALDH1A1
Hydrochloric Acid SCHEMBL7609262 0.75 PDE7A (0.59) ITGB2ICAM1ITGALPDE7AALDH1A1
SCHEMBL5253210 0.73 PDE7A (0.79) ITGB2ICAM1ITGALPDE7AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541141-A — — 2002-12-03 — — JP claimed
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 — — EP claimed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 — — WO claimed
EP-1175615-A2 LFA-1 REGULATORY BINDING SITE AND USES THEREOF ICOS CORPORATION (US) 2002-01-30 — — EP disclosed
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 — — EP disclosed
WO-2000060355-A2 LFA-1 REGULATORY BINDING SITE AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 — — WO disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 — — WO disclosed
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