SCHEMBL6314002

SCHEMBL6314002

NCCCn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.65
GAA P10253 1/20 0.61
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
EGFR P00533 1/20 0.60
TSHR P16473 1/20 0.58
F11 P03951 7/20 0.58
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL6309029 0.97 CASR (0.68) CASRGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6314431 0.92 MEN1 (0.67) CASRGAAALDH1A1F11MAPT
SCHEMBL6309822 0.89 EGFR (0.74) CASRGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6307999 0.88 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNATSHRF11
SCHEMBL6314754 0.88 MAPT (0.59) CASRGAAALDH1A1SMN1; SMN2EGFR
SCHEMBL6308188 0.87 GHSR (0.54) CASRGAAEGFRF11MAPT
SCHEMBL6306167 0.87 KMT2A (0.63) CASRGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6314802 0.87 EGFR (0.83) CASRALDH1A1SMN1; SMN2LMNARECQL
SCHEMBL6309730 0.86 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNATSHRF11
SCHEMBL6394256 0.86 EGFR (0.55) CASRGAAALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed