SCHEMBL28009020

SCHEMBL28009020

O=C(CCc1ccccc1)n1c(-c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL13502531 0.77 KMT2A (0.62) CASRSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL5777984 0.75 CASR (1.00) CASRSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL3587923 0.74 KMT2A (0.54) SMN1; SMN2ALDH1A1RAB9ALMNARECQL
SCHEMBL8219402 0.74 L3MBTL1 (0.66) CASRSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL13502461 0.74 CYP1A2 (0.54) CASRSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL27685271 0.72 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL3580872 0.72 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1RAB9ALMNARECQL
SCHEMBL28008951 0.72 ALDH1A1 (1.00) CASRSMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL13101672 0.70 ALDH1A1 (0.79) ALDH1A1RAB9ALMNAKMT2AMEN1
SCHEMBL5777640 0.70 CASR (0.82) CASRSMN1; SMN2ALDH1A1RAB9ALMNA

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
CN-104496915-A Synthetic method of quinazolinone aromatic compound UNIV HUAQIAO 2015-04-08 — — CN disclosed
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