SCHEMBL6313772

SCHEMBL6313772

COc1ccc(-c2ccc(-c3nc4ccc(C)cc4c(=O)n3Cc3cccc(CN)c3)cc2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.49
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.43
AVPR1B P47901 3/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6308119 0.96 F11 (0.52) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL7551638 0.95 F11 (0.47) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6305993 0.92 TSHR (0.50) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6309491 0.91 F11 (0.60) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6308091 0.91 ALDH1A1 (0.54) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6308063 0.89 ALDH1A1 (0.56) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL7554897 0.87 F11 (0.40) F11ALDH1A1TSHR
SCHEMBL6307391 0.87 F11 (0.55) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6308984 0.87 ALDH1A1 (0.51) F11ALDH1A1MEN1KMT2AMAPT
SCHEMBL6309689 0.86 F11 (0.48) F11ALDH1A1MEN1KMT2AMAPK1

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-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed