SCHEMBL6413419

SCHEMBL6413419

Oc1ccccc1C/N=C\c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
CA2 P00918 7/20 0.46
CA1 P00915 1/20 0.45
HSPA5 P11021 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1B1 P15121 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 4/20 0.41

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
SCHEMBL6413423 1.00 SMN1; SMN2 (0.49) SMN1; SMN2CA2CA1HSPA5KDM4E
SCHEMBL9992707 0.86 CYP1A2 (0.46) SMN1; SMN2CA2HSPA5KDM4EALDH1A1
SCHEMBL9992713 0.86 CYP1A2 (0.46) SMN1; SMN2CA2HSPA5KDM4EALDH1A1
SCHEMBL29369785 0.86 LMNA (0.50) SMN1; SMN2CA2CA1GAAMAPT
SCHEMBL27341308 0.81 CA12 (0.66) CA2CA1HSPA5KDM4EALDH1A1
SCHEMBL18651816 0.81 CA12 (0.66) CA2CA1HSPA5KDM4EALDH1A1
SCHEMBL31110321 0.81 CA12 (0.66) CA2CA1HSPA5KDM4EALDH1A1
SCHEMBL14917394 0.76 HSPA5 (0.48) CA2HSPA5KDM4EMAPTHSD17B10
SCHEMBL14917396 0.76 HSPA5 (0.48) CA2HSPA5KDM4EMAPTHSD17B10
SCHEMBL30073008 0.74 CA12 (0.68) CA2CA1KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043497-A1 Catalyst system and its use in a polymerization process GINDELBERGER DAVID EDWARD (US) 2005-02-24 US disclosed
EP-1303543-A1 A CATALYST SYSTEM AND ITS USE IN A POLYMERIZATION PROCESS Univation Technologies LLC (US) 2003-04-23 EP disclosed
US-20020016254-A1 Olefin polymerization catalysts, their production and use KABUSHIKI KAISHA TOSHIBA (JP) 2002-02-07 US disclosed
WO-2002006358-A1 A CATALYST SYSTEM AND ITS USE IN A POLYMERIZATION PROCESS UNIVATION TECHNOLOGIES, LLC (US) 2002-01-24 WO disclosed
US-6333389-B2 COORDINATION CATALYSTS UNIVATION TECHNOLOGIES, LLC 2001-12-25 US disclosed
US-20010031843-A1 OLEFIN POLYMERIZATION CATALYSTS, THEIR PRODUCTION AND USE UNIVATION TECHNOLOGIES 2001-10-18 US disclosed
WO-2000037512-A2 OLEFIN POLYMERIZATION CATALYSTS, THEIR PRODUCTION AND USE UNIVATION TECHNOLOGIES, LLC (US) 2000-06-29 WO disclosed