SCHEMBL24011561

SCHEMBL24011561

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCOc4ccccc43)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.57
▸ TP53 P04637 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 8/20 0.47
▸ LMNA P02545 4/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL24011041 0.84 THRB (0.61) THRBTP53ALDH1A1CYP3A4CYP2C19
SCHEMBL24011567 0.78 PKM (0.43) ALDH1A1MAPTLMNAPOLBNPC1
SCHEMBL24011556 0.78 ACHE (0.49) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL24011270 0.76 PKM (0.45) ALDH1A1MAPTLMNA
SCHEMBL26633866 0.76 THRB (0.57) THRBTP53ALDH1A1CYP3A4CYP2C19
SCHEMBL24011251 0.76 ADAM17 (0.47) ALDH1A1LMNARAB9A
SCHEMBL24011627 0.73 MEN1 (0.46) ALDH1A1CYP3A4CYP2D6POLBSMN1; SMN2
SCHEMBL24011413 0.73 PKM (0.39) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL24011636 0.72 ADAM17 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL24011363 0.71 LMNA (0.54) ALDH1A1MAPTLMNANPSR1KMT2A

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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