SCHEMBL24011546

SCHEMBL24011546

COc1ccc(CNC(=O)NC2CCC(C(=O)NCc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ RAB9A P51151 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 2/20 0.57
▸ EPHX1 P07099 1/20 0.57
▸ USP2 O75604 1/20 0.54
▸ MCHR1 Q99705 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ GLA P06280 1/20 0.53
▸ BLM P54132 1/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL24011634 0.92 SMN1; SMN2 (0.61) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011043 0.90 NPC1 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011257 0.89 SMN1; SMN2 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL24011559 0.88 ALDH1A1 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011445 0.88 SMN1; SMN2 (0.74) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL24011327 0.88 SMN1; SMN2 (0.58) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011345 0.87 NPC1 (0.60) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011474 0.87 SMN1; SMN2 (0.63) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL26633903 0.86 NPC1 (0.59) NPC1SMN1; SMN2RAB9AALDH1A1POLB
SCHEMBL24011209 0.85 SMN1; SMN2 (0.74) NPC1SMN1; SMN2RAB9AALDH1A1POLB

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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