SCHEMBL31489034

SCHEMBL31489034

O=C(NC12CC(c3ccc([N+](=O)[O-])cc3)(C1)C2)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ PPIA P62937 1/20 0.42
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL27875249 0.83 RAB9A (0.49) RAB9ANPC1TDP1ATMPPIA
SCHEMBL31489148 0.83 CA12 (0.44) RAB9ANPC1
SCHEMBL31489162 0.77 MAPT (0.46) RAB9ANPC1TDP1ATM
SCHEMBL30059309 0.76 LMNA (0.49) RAB9ANPC1TDP1
SCHEMBL38659346 0.75 NPC1 (0.43) RAB9ANPC1ATM
SCHEMBL87044 0.75 POLB (0.61) RAB9ANPC1PPIA
SCHEMBL28821026 0.74 CA12 (0.50) RAB9ANPC1
SCHEMBL20564912 0.74 ALDH1A1 (0.49) RAB9ANPC1ATM
SCHEMBL6966891 0.74 PLAU (0.59) RAB9ANPC1HDAC1HDAC2
SCHEMBL23671289 0.73 LMNA (0.47) RAB9ANPC1

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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