SCHEMBL8607339

SCHEMBL8607339

COc1cc(C)nc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.48
GRM5 P41594 2/20 0.46
NR1H3 Q13133 4/20 0.46
NR1H2 P55055 2/20 0.46
ALPL P05186 1/20 0.45
AR P10275 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL501398 0.81 KMT2A (0.45) GRM5ARALDH1A1HPGDKDM4E
SCHEMBL8607629 0.80 NR1H3 (0.44) SCN2AGRM5NR1H3NR1H2ALPL
SCHEMBL8605347 0.80 KMT2A (0.44) GRM5NR1H3ALDH1A1HPGDKDM4E
SCHEMBL11615606 0.79 NR1H3 (0.61) SCN2AGRM5NR1H3NR1H2ALDH1A1
SCHEMBL8607285 0.78 KMT2A (0.46) GRM5ALPLARALDH1A1KDM4E
SCHEMBL11072686 0.78 KMT2A (0.45) GRM5ARALDH1A1HPGDKDM4E
SCHEMBL9753883 0.76 SCN2A (0.43) SCN2AGRM5NR1H3NR1H2ALPL
SCHEMBL5026395 0.75 RECQL (0.62) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL29562157 0.75 RECQL (0.62) ARALDH1A1HPGDKDM4EMAPT
SCHEMBL501633 0.75 KMT2A (0.43) GRM5ALPLALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed