SCHEMBL11635887

SCHEMBL11635887

Cn1c(=O)nc(-c2ccccc2)c2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.44
▸ PTGS2 P35354 6/20 0.44
▸ CASR P41180 1/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ ACSS2 Q9NR19 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ SCD O00767 1/20 0.42
▸ NR1I2 O75469 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL11610757 0.81 NR1I2 (0.58) PTGS2CASRNR1I2EGFRADRA2A
SCHEMBL6872385 0.80 MAPT (0.53) ALDH1A1
SCHEMBL11609021 0.80 CASR (0.45) PTGS2CASRNR1I2EGFRADRA2A
SCHEMBL11166292 0.79 PTGS2 (0.47) PTGS2
SCHEMBL11608488 0.78 HPGD (0.53) PTGS2NR1I2EGFRADRA2AADORA3
SCHEMBL11606364 0.78 L3MBTL1 (0.67) EGFRALDH1A1
SCHEMBL11602843 0.77 CASR (0.68) CASRPDE3AALDH1A1
SCHEMBL11635950 0.77 DHODH (0.45) PTGS2CASRNR1I2EGFRADRA2A
SCHEMBL11608433 0.76 FNTA (0.48) PTGS2CASRNR1I2EGFRADRA2A
SCHEMBL11793733 0.75 EPHX2 (0.38) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096144-A Process for preparing quinazolinone derivatives and their 2-(N-mono-substituted amino)-phenyl ketone intermediate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-06-20 — — US disclosed
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