SCHEMBL2494094

SCHEMBL2494094

O=C(Sc1nc2ccccc2o1)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 2/20 0.45
F2 P00734 1/20 0.45
MIF P14174 1/20 0.45
ALPL P05186 1/20 0.44
ALPG P10696 1/20 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
SCHEMBL69998 0.90 RAB9A (0.56) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL3176468 0.77 KMT2A (0.59) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL11589126 0.72 ALDH1A1 (0.65) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL10759957 0.72 KMT2A (0.62) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL11619441 0.71 RAB9A (0.59) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL9184428 0.70 KMT2A (0.67) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL11561776 0.69 RAB9A (0.57) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL28558622 0.68 PARP1 (0.61) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL16235861 0.67 PARP1 (0.47) KMT2ARAB9AHPGDMEN1NPC1
SCHEMBL4825241 0.66 DDAH1 (0.56) KMT2ARAB9AHPGDMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed