SCHEMBL212055

SCHEMBL212055

CC(=NO[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)c1cccn1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
PKM P14618 1/20 0.35
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
RECQL P46063 1/20 0.33
PADI4 Q9UM07 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL212168 0.78 RAB9A (0.37) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL214457 0.77 LMNA (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL212035 0.77 HSD17B10 (0.38) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL214062 0.75 NOS2 (0.40) SMN1; SMN2ALDH1A1TP53CYP2C19CYP2C9
SCHEMBL212909 0.72 HSD17B10 (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL213215 0.71 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL214914 0.71 NOS2 (0.37) SMN1; SMN2ALDH1A1TP53MAOB
SCHEMBL214915 0.71 NOS2 (0.37) SMN1; SMN2ALDH1A1TP53MAOB
SCHEMBL211996 0.71 NPC1 (0.41) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL215602 0.70 CYP1A2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19

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
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US disclosed