SCHEMBL9263544

SCHEMBL9263544

CN(C)C(=O)C(O)c1c(-c2ccccc2)nc2n(C)c3cc(Cl)ccc3n12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ ADORA2B P29275 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAT2A P31153 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSPO P30536 1/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ ENPP2 Q13822 1/20 0.35

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
SCHEMBL9261214 0.96 ADORA2B (0.41) HPGDADORA2BKDM4EMAT2AADORA1
SCHEMBL9257773 0.86 ADORA2B (0.37) HPGDADORA2BKDM4EADORA1MAPT
SCHEMBL9257774 0.84 ADORA3 (0.43) ADORA2BKDM4EADORA1PDE4DALDH1A1
SCHEMBL9264420 0.83 CXCR3 (0.39) HPGDKDM4EADORA1MAPTALDH1A1
SCHEMBL9258312 0.81 ADORA1 (0.38) HPGDADORA2BKDM4EADORA1HTR2B
SCHEMBL9265963 0.78 TSPO (0.46) HPGDKDM4EMAT2ATSPO
SCHEMBL9262280 0.75 KDM4E (0.46) HPGDADORA2BKDM4EADORA1MAPT
SCHEMBL9257923 0.74 TSPO (0.46) HPGDADORA2BKDM4EMAT2ATSPO
SCHEMBL9261380 0.72 MAPT (0.41) ADORA2BKDM4EMAT2AADORA1MAPT
SCHEMBL9416617 0.72 ADORA1 (0.39) HPGDADORA2BKDM4EADORA1HTR2B

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-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 — — US disclosed
EP-0607076-A1 9H-Imidazo 1,2-a benzimidazole derivatives with GABA activity SYNTHELABO (FR) 1994-07-20 — — EP disclosed
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