SCHEMBL10477010

SCHEMBL10477010

Nc1ccccc1Cc1ccccc1N.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CCR6 P51684 1/20 0.44
FDPS P14324 1/20 0.37
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
HSPA5 P11021 1/20 0.32
PARP1 P09874 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
Maleic Anhydride SCHEMBL3682805 0.90 AR (0.40) ARGSK3AGSK3BCCR6FDPS
SCHEMBL9858509 0.83 GSK3B (0.58) GSK3AGSK3BCCR6CYP3A4ALOX15
SCHEMBL36019 0.80 CYP3A4 (0.53) ARFDPSCYP3A4ALOX15CASP1
SCHEMBL29373097 0.80 CYP3A4 (0.53) ARFDPSCYP3A4ALOX15CASP1
Hydrochloric Acid SCHEMBL11743462 0.78 CYP3A4 (0.50) ARFDPSCYP3A4ALOX15CASP1
SCHEMBL1759362 0.78 CYP3A4 (0.50) ARFDPSCYP3A4ALOX15CASP1
Ammonia Solution, Strong SCHEMBL9517239 0.78 CYP3A4 (0.50) ARFDPSCYP3A4ALOX15CASP1
SCHEMBL9719138 0.78 CYP3A4 (0.50) ARFDPSCYP3A4ALOX15CASP1
Hydrochloric Acid SCHEMBL1759361 0.75 CYP3A4 (0.47) ARFDPSCYP3A4ALOX15CASP1
SCHEMBL2356316 0.74 CYP3A4 (0.41) ARFDPSCYP3A4ALOX15CASP1

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-4874828-A AEROSPACE HERCULES INCORPORATED (US) 1989-10-17 US claimed
EP-0001666-B1 IMIDE-CROSSLINKED ETHYLENIC POLYMER RESIN FOAMS AND METHOD OF MAKING THE DOW CHEMICAL COMPANY (US) 1982-05-05 EP claimed
US-4874828-A AEROSPACE HERCULES INCORPORATED (US) 1989-10-17 US disclosed
EP-0313863-A2 Heat resistant thermosetting phosphazene-imide copolymers HERCULES INCORPORATED (US) 1989-05-03 EP disclosed