SCHEMBL31705753

SCHEMBL31705753

COC(=O)c1cncc(N2CCN(CC3COC3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ RET P07949 1/20 0.34
▸ ACVR1 Q04771 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL31706018 0.86 RBP4 (0.40) RETMAPTALDH1A1MAPK1
Lithium Ion SCHEMBL31705320 0.84 CASP1 (0.33) RETACVR1ALDH1A1
Lithium Ion SCHEMBL31706297 0.84 CASP1 (0.33) RETACVR1ALDH1A1
SCHEMBL31706352 0.81 HRH3 (0.38) KDM4EHRH3MAPTALDH1A1NPC1
SCHEMBL24993525 0.81 DRD2 (0.40) KDM4EHRH3ALDH1A1
SCHEMBL31705338 0.79 PIK3CA (0.44) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL24993524 0.79 PIK3CA (0.44) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL31014743 0.77 NPC1 (0.40) KDM4EHRH3NPC1RAB9ASMN1; SMN2
SCHEMBL31705614 0.77 ATM (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31706184 0.76 CRBN (0.45) KDM4EALDH1A1

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-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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