SCHEMBL24011567

SCHEMBL24011567

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCS(=O)(=O)CC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MTNR1B P49286 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL24011270 0.86 PKM (0.45) PKMALDH1A1KDM4ELMNAMAPT
SCHEMBL24011556 0.83 ACHE (0.49) ALDH1A1POLBSMN1; SMN2
SCHEMBL24011384 0.83 SMN1; SMN2 (0.60) PKMALDH1A1LMNATSHRPOLB
SCHEMBL24011413 0.80 PKM (0.39) PKMALDH1A1KDM4ELMNAMAPT
SCHEMBL24011627 0.79 MEN1 (0.46) ALDH1A1KDM4EMTNR1BPOLBSMN1; SMN2
SCHEMBL24011561 0.78 THRB (0.57) ALDH1A1LMNAMAPTPOLBSMN1; SMN2
SCHEMBL24011636 0.78 ADAM17 (0.46) PKMALDH1A1LMNAMAPT
SCHEMBL24011251 0.78 ADAM17 (0.47) ALDH1A1LMNARAB9A
SCHEMBL24011363 0.75 LMNA (0.54) ALDH1A1KDM4ELMNAMAPTL3MBTL1
SCHEMBL26633693 0.73 SMN1; SMN2 (0.53) PKMALDH1A1LMNATSHRSMN1; 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-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
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