SCHEMBL22112727

SCHEMBL22112727

Cc1cc(C(=O)NCCC(C)C)ccc1Nc1cccc(C/C=C/c2ccncc2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.38
▸ NAMPT P43490 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL12766948 0.88 NAMPT (0.40) TP53NAMPTRXFP1F3SMN1; SMN2
SCHEMBL1499555 0.84 NAMPT (0.45) NAMPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1499557 0.84 NAMPT (0.45) NAMPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1499537 0.81 NAMPT (0.40) TP53NAMPTRXFP1F3SMN1; SMN2
SCHEMBL1499538 0.81 NAMPT (0.40) TP53NAMPTRXFP1F3SMN1; SMN2
SCHEMBL1499437 0.81 SMN1; SMN2 (0.48) NAMPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1499539 0.77 NAMPT (0.47) NAMPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL1499624 0.77 NPC1 (0.43) TP53NAMPTRXFP1F3SMN1; SMN2
SCHEMBL1499621 0.77 NPC1 (0.43) TP53NAMPTRXFP1F3SMN1; SMN2
SCHEMBL1499597 0.77 TP53 (0.47) TP53NAMPTRXFP1F3SMN1; 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
EP-2235000-B1 CHEMICAL MOLECULES THAT INHIBIT THE SLICING MECHANISM FOR TREATING DISEASES RESULTING FROM SPLICING ANOMALIES CENTRE NAT RECH SCIENT (FR) 2020-06-17 — — EP disclosed
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