SCHEMBL31705330

SCHEMBL31705330

O=C(O)c1cncc(C2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.46
▸ CYP11B1 P15538 1/20 0.44
▸ HCAR2 Q8TDS4 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DDO Q99489 1/20 0.43
▸ KMO O15229 1/20 0.41
▸ SERPINE1 P05121 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PRKAB2 O43741 2/20 0.37
▸ PRKAG1 P54619 2/20 0.37

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
SCHEMBL29810615 0.88 HCAR2 (0.50) CYP11B2HCAR2KDM4EALDH1A1MEN1
SCHEMBL17067759 0.88 HCAR2 (0.50) CYP11B2HCAR2KDM4EALDH1A1MEN1
SCHEMBL30678406 0.86 CYP11B2 (0.51) CYP11B2CYP11B1MAPK1
SCHEMBL30281197 0.85 KMO (0.51) CYP11B2HCAR2KDM4EALDH1A1MEN1
Lithium Ion SCHEMBL31706306 0.84 CYP11B2 (0.42) CYP11B2CYP11B1SERPINE1MAPK1
Lithium Ion SCHEMBL31706663 0.84 CYP11B2 (0.42) CYP11B2CYP11B1SERPINE1MAPK1
SCHEMBL31705854 0.82 ATM (0.50) CYP11B2CYP11B1ALDH1A1NPC1RAB9A
SCHEMBL31704913 0.82 ATM (0.50) CYP11B2CYP11B1ALDH1A1NPC1RAB9A
SCHEMBL13406401 0.81 P2RY14 (0.47) CYP11B2HCAR2KDM4EALDH1A1MEN1
SCHEMBL31704975 0.79 HCAR2 (0.40) HCAR2KDM4EALDH1A1MEN1KMT2A

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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