SCHEMBL11273899

SCHEMBL11273899

Cc1cccc(N)c1CN[C@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.40
PDCD1 Q15116 3/20 0.40
NR4A2 P43354 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
MEP1B Q16820 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11278306 1.00 CD274 (0.40) CD274PDCD1NR4A2KDM4EALDH1A1
SCHEMBL29141118 0.89 CD274 (0.44) CD274PDCD1NR4A2KDM4EMEP1B
SCHEMBL30170212 0.89 CD274 (0.44) CD274PDCD1NR4A2KDM4EMEP1B
SCHEMBL11394474 0.84 ALDH1A1 (0.41) CD274PDCD1KDM4EALDH1A1HPGD
SCHEMBL11402492 0.84 ALDH1A1 (0.41) CD274PDCD1KDM4EALDH1A1HPGD
SCHEMBL11564824 0.81 MEN1 (0.44) KDM4EALDH1A1HPGDMEP1BL3MBTL1
SCHEMBL20957060 0.79 CYP1A2 (0.47) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL11285599 0.79 KDM4E (0.45) CD274PDCD1NR4A2KDM4EALDH1A1
SCHEMBL8601665 0.76 CD44 (0.41) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7139605 0.74 KDM4E (0.60) CD274NR4A2KDM4EALDH1A1HPGD

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
EP-0000718-B1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-24 EP disclosed