SCHEMBL6314754

SCHEMBL6314754

CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2CCCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
CASR P41180 1/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.52
F11 P03951 7/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL6314431 0.88 MEN1 (0.67) MAPTCASRTP53ALDH1A1MEN1
SCHEMBL6314002 0.88 CASR (0.65) MAPTCASRTP53ALDH1A1MEN1
SCHEMBL6309029 0.88 CASR (0.68) MAPTCASRALDH1A1KMT2AGAA
SCHEMBL6308923 0.86 MAPT (0.46) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL6314229 0.84 EGFR (0.55) MAPTCASRTP53MEN1KMT2A
SCHEMBL6306215 0.84 EGFR (0.64) MAPTTP53KMT2ARXFP1SMN1; SMN2
SCHEMBL6307999 0.84 ALDH1A1 (0.69) MAPTALDH1A1MEN1KMT2AF11
SCHEMBL6306796 0.83 F11 (0.61) MAPTCASRALDH1A1MEN1KMT2A
SCHEMBL6308188 0.81 GHSR (0.54) MAPTCASRGAAF11EGFR
SCHEMBL6306167 0.81 KMT2A (0.63) MAPTCASRTP53ALDH1A1MEN1

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