SCHEMBL4649005

SCHEMBL4649005

[c]1cccc2nc3[nH]c4ccccc4c3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
TP53 P04637 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 2/20 0.50
CASP1 P29466 2/20 0.50
MAPK10 P53779 2/20 0.50
CASP7 P55210 2/20 0.50
CA5A P35218 1/20 0.49
MAPT P10636 5/20 0.44
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 3/20 0.44
HPGD P15428 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL2422471 0.78 POLB (0.58) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL816940 0.78 NPC1 (0.50) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL29883573 0.75 CA5A (0.60) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL17275513 0.73 NPC1 (0.56) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL17274958 0.69 SMN1; SMN2 (0.53) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL25265 0.69 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9APOLBCASP1
Phenazine SCHEMBL6742600 0.67 ALDH1A1 (0.70) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL278729 0.67 RAB9A (1.00) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL29572859 0.67 RAB9A (1.00) SMN1; SMN2NPC1TP53RAB9APOLB
SCHEMBL12694677 0.67 CA5A (0.50) SMN1; SMN2NPC1TP53RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
EP-1960411-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-08-27 EP disclosed
EP-1960442-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2008-08-27 EP disclosed
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
WO-2007070040-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
WO-2007070046-A1 HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065468-A1 METALLOCENE COMPLEXES, THEIR SYNTHESIS AND USE IN CATALYST SYSTEMS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed