SCHEMBL31559253

SCHEMBL31559253

Cc1c(Cl)cccc1C1(NC(=O)CCl)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC6 Q9UBN7 3/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ ENPP2 Q13822 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
SCHEMBL31559321 0.94 HDAC1 (0.42) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL31559556 0.83 SMN1; SMN2 (0.50) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL30702529 0.82 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL30702528 0.82 HDAC1 (0.47) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL31559401 0.82 SMN1; SMN2 (0.50) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL29087318 0.80 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL31559845 0.79 SMN1; SMN2 (0.46) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL31559392 0.78 SMN1; SMN2 (0.46) HDAC1HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL31559505 0.77 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2
SCHEMBL2876427 0.77 CTSD (0.51) HDAC1HDAC6HDAC3HDAC2SMN1; SMN2

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-2025090514-A1 COVALENT SARM1 INHIBITORS NURA BIO, INC. (US) 2025-05-01 — — WO disclosed
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