SCHEMBL3124117

SCHEMBL3124117

CCCCCC/C=C\c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
FAAH O00519 5/20 0.44
CES1 P23141 2/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL28879045 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL7529684 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9567006 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9567002 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3115987 1.00 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
Ammonia Solution, Strong SCHEMBL27627886 0.98 NPC1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9466506 0.98 MEN1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6863156 0.93 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6863164 0.93 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28281740 0.89 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US disclosed
EP-0906257-B2 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF SE (DE) 2010-04-07 EP disclosed
CN-1101365-C Substance mixture comprising a vinyl compound and a stabilizer BASF AG (DE) 2003-02-12 CN disclosed
EP-0944563-B1 SUBSTANCE MIXTURES CONTAINING STABILIZERS AND COMPOUNDS CONTAINING VINYL GROUPS BASF AG (DE) 2002-04-03 EP disclosed
EP-0906257-B1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AG (DE) 2001-07-25 EP disclosed
US-6200460-B1 MIXTURE COMPRISING VINYL AROMATIC COMPOUND, ACTIVE AMOUNT OF MIXTURE WHICH INHIBITS THE PREMATURE POLYMERIZATION OF SAID COMPOUND COMPRISING NOXYL COMPOUND, IRON COMPOUND, OPTIONALLY NITRO COMPOUNDS AND COSTABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6143205-A A MIXTRUE COMPRISES A VINYL-CONTAINING MONOMERS, AND A MIXTURE OF PREMATURE POLYMERIZATION INHIBITOR OF MONOMERS DURING PURIFICATION OR DISTILLATION COMPRISING A N-OXYL COMPOUND OF SECONDARY AMINE AND A NITRO COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
CN-1227533-A Substance mixture comprising a vinyl compound and a stabilizer BASF AG (DE) 1999-09-01 CN disclosed