SCHEMBL3679500

SCHEMBL3679500

CC1=Cc2c(cccc2-n2cccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.32
CASP6 P55212 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3687303 0.73 CYP1A2 (0.39) CYP1A2CYP2C19ALDH1A1MAPTKDM4E
SCHEMBL831356 0.73 HSP90AA1 (0.39) ALDH1A1MAPT
SCHEMBL17074033 0.73 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL830800 0.73 ALDH1A1 (0.39) CYP2C19ALDH1A1MAPTKDM4EGAA
SCHEMBL17034694 0.72 CYP3A4 (0.42) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL4035804 0.71 CYP2A6 (0.36) CYP1A2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL30477217 0.71 CYP2A6 (0.36) CYP1A2ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL7465941 0.71 PNMT (0.35)
SCHEMBL7628272 0.69 GABRA1 (0.40) MAPTKMT2ALMNAMEN1
SCHEMBL17082255 0.68 L3MBTL1 (0.39) CYP1A2CYP2C19MAPTGAAMAPK1

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
EP-2240520-B1 PRODUCTION OF PROPYLENE-BASED POLYMERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-04-24 EP disclosed
US-7812104-B2 Production of propylene-based polymers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-10-12 US disclosed
EP-2103634-A1 Production of propylene-based polymers ExxonMobil Chemical Patents Inc. (US) 2009-09-23 EP disclosed
US-20090186995-A1 Production of Propylene-Based Polymers EXXONMOBIL CHEMICAL PATENTS INC. 2009-07-23 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed