SCHEMBL28293629

SCHEMBL28293629

CN(c1cccnc1)c1cc(Cl)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.45
▸ GRM5 P41594 2/20 0.45
▸ KCNMA1 Q12791 2/20 0.43
▸ PYGL P06737 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ KCNA5 P22460 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
SCHEMBL3261175 0.81 CHKA (0.51) CHKAKCNMA1MEN1KMT2A
SCHEMBL8685760 0.81 GRIK1 (0.48) CHKAGRM5KCNMA1PYGLMEN1
SCHEMBL3409401 0.73 KCNA5 (0.49) GRM5KCNA5
Hydrochloric Acid SCHEMBL4024971 0.71 KCNA5 (0.47) GRM5KCNA5
SCHEMBL6732495 0.70 ALDH1A1 (0.53) GRM5NPC1CYP19A1CYP11B2KCNA5
SCHEMBL3222106 0.69 HSD17B10 (0.50) NPC1MEN1KMT2A
SCHEMBL6730575 0.69 NPC1 (0.54) GRM5NPC1RAB9AMEN1KMT2A
SCHEMBL3553376 0.69 GRM5 (0.40) GRM5PYGLKCNA5
SCHEMBL913751 0.69 MKNK1 (0.44) GRM5
SCHEMBL10814850 0.69 HSP90AA1 (0.48) GRM5MEN1KMT2A

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
CN-104045552-B Medicinal compound as neuroprotective agent 江苏先声药业有限公司 2019-06-11 — — CN disclosed
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