SCHEMBL28906165

SCHEMBL28906165

COC(=O)c1c(-c2ccc(Cl)nc2)nnn1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 3/20 0.37
ADCY10 Q96PN6 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL30111779 1.00 PDE10A (0.39) PDE10AALDH1A1LMNAMAPK1KMT2A
SCHEMBL30111776 0.85 PDE10A (0.38) PDE10AALDH1A1GPBAR1SMN1; SMN2HPGD
SCHEMBL28906180 0.85 PDE10A (0.38) PDE10AALDH1A1GPBAR1SMN1; SMN2HPGD
SCHEMBL19715541 0.78 RAB9A (0.47) ALDH1A1LMNAKMT2ARAB9AMEN1
SCHEMBL29272617 0.75 SMN1; SMN2 (0.42) ALDH1A1LMNAMAPK1KMT2ARAB9A
SCHEMBL26133178 0.75 CHRNB2 (0.38) PDE10AALDH1A1KMT2ARAB9AMEN1
SCHEMBL22230141 0.73 CHRNB2 (0.40) PDE10AALDH1A1KMT2ARAB9AMEN1
SCHEMBL22230040 0.73 PIK3CD (0.43) PDE10AALDH1A1MAPK1KMT2ARAB9A
SCHEMBL26098721 0.72 CHRNB2 (0.38) PDE10AALDH1A1KMT2ARAB9AMEN1
SCHEMBL2952147 0.71 KDM4E (0.50) ALDH1A1MAPK1SMN1; SMN2GAAKDM4E

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
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed