SCHEMBL6544874

SCHEMBL6544874

Oc1cccc2ccc(Br)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
DNMT1 P26358 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MCL1 Q07820 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
CDK2 P24941 3/20 0.47
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ALOX15 P16050 3/20 0.40
RECQL P46063 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL2475719 0.81 TDP1 (0.39) ALDH1A1MEN1KMT2ACDK2HPGD
SCHEMBL298615 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL6349397 0.79 CDK2 (0.69) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL31037125 0.79 CDK2 (0.69) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL23155055 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL7126508 0.78 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL8623653 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL70219 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL29363189 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL18068453 0.75 CDK2 (0.52) ALDH1A1MEN1KMT2ADNMT1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597876-A CURING AGENT PROVIDES BETTER MECHANICAL PROPERTIES AT HIGH TEMPERATURE SHELL OIL COMPANY (US) 1997-01-28 US claimed
EP-1218178-B1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA TEK INC (US) 2004-01-07 EP disclosed
EP-1218178-A4 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA TEK INC (US) 2003-01-08 EP disclosed
EP-1218178-A1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS Ga-Tek Inc. (US) 2002-07-03 EP disclosed
WO-2001019607-A1 AN ADHESION PROMOTING LAYER FOR USE WITH EPOXY PREPREGS GA-TEK INC. (US) 2001-03-22 WO disclosed
US-6117536-A MULTILAYER STRUCTURE COMPRISING PREPREG LAYER MADE FROM EPOXY RESIN AND NON-AMINE CURING AGENT, NITROGEN-CONTAINING SILANE ADHESION PROMOTING LAYER GA-TEK INC. (US) 2000-09-12 US disclosed
EP-0720630-B1 EPOXY RESIN COMPOSITION SHELL INT RESEARCH (NL) 1999-03-17 EP disclosed
US-5597876-A CURING AGENT PROVIDES BETTER MECHANICAL PROPERTIES AT HIGH TEMPERATURE SHELL OIL COMPANY (US) 1997-01-28 US disclosed
EP-0720630-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-07-10 EP disclosed
EP-0682052-A1 Composition of epoxy resins based on condensed polynuclear aromatic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-11-15 EP disclosed
WO-1995008584-A1 EPOXY RESIN COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1995-03-30 WO disclosed