SCHEMBL29172295

SCHEMBL29172295

CP(C)(=O)c1cc(OCc2ccccc2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ P4HTM Q9NXG6 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ IKBKE Q14164 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX5 P09917 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
SCHEMBL29172297 0.86 NPC1 (0.49) MAOBMAPTRAB9ASMN1; SMN2
SCHEMBL25339187 0.80 MAOB (0.50) MAOBGAAMAPTMAOARAB9A
SCHEMBL23273762 0.78 MAOB (0.50) PDGFRBPDGFRAMAOBGAAMAPT
SCHEMBL1330323 0.75 MAOB (0.50) PDGFRBPDGFRAMAOBGAAMAPT
SCHEMBL29172318 0.74 MAOB (0.57) MAOBMAOAMEN1KMT2AALOX5
SCHEMBL30183962 0.74 MAOB (0.57) MAOBMAOAMEN1KMT2AALOX5
Phosphine SCHEMBL24869922 0.72 LTA4H (0.50) PDGFRBPDGFRAMAOBGAAMAPT
SCHEMBL7409633 0.72 MAOB (0.50) PDGFRBPDGFRAMAOBGAAMAPT
SCHEMBL504815 0.70 MAOB (0.60) MAOBGAAMAPTMAOARAB9A
SCHEMBL29870411 0.70 NPC1 (0.55) PDGFRBPDGFRAMAOBRAB9ALTA4H

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-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN disclosed
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