SCHEMBL5010995

SCHEMBL5010995

Cc1ccccc1[N]c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CYP2A6 P11509 2/20 0.41
CYP2B6 P20813 1/20 0.41
LMNA P02545 1/20 0.40
PAX8 Q06710 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR2 Q92731 2/20 0.38
CYP2C9 P11712 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL1232121 0.87 CASP3 (0.52) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL702526 0.82 TSHR (0.53) CYP2A6LMNAPAX8ALDH1A1HPGD
SCHEMBL6541889 0.80 CASP3 (0.61) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL6269790 0.78 RAB9A (0.42) CASP3SENP8SENP7SENP6LMNA
SCHEMBL4606523 0.76 CASP3 (0.57) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL5008914 0.75 CASP3 (0.42) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL616 0.74 ESR2 (0.54) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL29706107 0.74 ESR2 (0.54) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL3133789 0.73 CASP3 (0.50) CASP3SENP8SENP7SENP6CYP2A6
SCHEMBL5013823 0.73 TSHR (0.43) LMNAPAX8ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed