SCHEMBL25431587

SCHEMBL25431587

Cc1ccc(C=CC(=O)c2c(C)c3cnccc3[nH]c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PADI4 Q9UM07 18/20 0.56
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPK10 P53779 1/20 0.47

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
SCHEMBL25431584 1.00 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL30590387 1.00 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL31139794 1.00 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL25432294 0.91 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL31139843 0.91 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL30590358 0.91 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL25432297 0.91 PADI4 (0.56) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL25434661 0.83 PADI4 (0.78) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL25434667 0.83 PADI4 (0.78) PADI4LMNAHTTSMN1; SMN2NPSR1
SCHEMBL30590395 0.83 PADI4 (0.78) PADI4LMNAHTTSMN1; SMN2NPSR1

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-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 — — WO disclosed
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