SCHEMBL30288106

SCHEMBL30288106

COc1ccc(CNC(=O)NCCCCCOS(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.52
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL24011409 0.82 CASR (0.59) CASRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL26633938 0.82 CASR (0.62) CASRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL26764081 0.82 CNR1 (0.60) CASRNPC1RAB9ASMN1; SMN2
SCHEMBL29135427 0.81 CASR (0.53) CASRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL24011467 0.81 CASR (0.62) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL24011468 0.81 CASR (0.62) CASRNPC1RAB9AMEN1KMT2A
SCHEMBL24576223 0.78 NPC1 (0.71) CASRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL24011214 0.77 CASR (0.53) CASRNPC1RAB9ASMN1; SMN2POLB
SCHEMBL9701570 0.76 TDP1 (0.54) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL12508207 0.74 CASR (0.63) CASRNPC1RAB9ASMN1; SMN2POLB

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
EP-4146640-A2 NAMPT MODULATORS Cytokinetics, Inc. (US) 2023-03-15 — — EP disclosed
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