SCHEMBL31521334

SCHEMBL31521334

COC(=O)c1cnc(N[C@@H](C)c2ccccc2Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PCSK9 Q8NBP7 1/20 0.37
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 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
SCHEMBL31521461 0.87 KDM4E (0.42) HPGDHSD17B10MAPK1ALDH1A1NPC1
SCHEMBL31521316 0.82 HCAR3 (0.45) MAPK1ROCK2ROCK1NPC1RAB9A
SCHEMBL31521280 0.79 SCN1A (0.41) ALDH1A1ROCK2ROCK1SCN1ASCN5A
SCHEMBL31521425 0.77 HTR6 (0.41) ALDH1A1ROCK2ROCK1MEN1NPC1
SCHEMBL31521165 0.75 SCN1A (0.35) MAPK1SCN1ASCN5ASCN8A
SCHEMBL31521466 0.74 HCAR3 (0.61) —
SCHEMBL20601672 0.74 SMN1; SMN2 (0.53) HPGDALDH1A1MEN1NPC1RAB9A
SCHEMBL31521347 0.72 CDC25A (0.49) HPGDMAPK1ALDH1A1MEN1NPC1
SCHEMBL31521432 0.71 SCN1A (0.42) SCN1ASCN5ASCN8AKDM4E
SCHEMBL68869 0.69 MAPK1 (0.63) HPGDHSD17B10MAPK1ALDH1A1KDM4E

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
WO-2025096957-A1 RAS-PI3K INHIBITORS AND USES THEREOF VIVIDION THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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