SCHEMBL24426825

SCHEMBL24426825

NSN1CCCC(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 4/20 0.52
▸ TP53 P04637 3/20 0.50
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ FLT3 P36888 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ REV1 Q9UBZ9 1/20 0.43

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
SCHEMBL24426786 0.91 ANO1 (0.52) ANO1TP53MAPTALDH1A1RXFP1
SCHEMBL20339095 0.86 ANO1 (0.55) ANO1TP53MAPTALDH1A1RXFP1
SCHEMBL20353881 0.86 SMN1; SMN2 (0.53) ANO1TP53MAPTALDH1A1RXFP1
SCHEMBL20354027 0.84 ANO1 (0.50) ANO1TP53MAPTALDH1A1RXFP1
SCHEMBL20339110 0.84 ANO1 (0.65) ANO1TP53MAPTRXFP1FLT3
SCHEMBL20340702 0.83 SMN1; SMN2 (0.54) ANO1TP53MAPTALDH1A1KDM4E
SCHEMBL29403756 0.82 ANO1 (0.68) ANO1TP53MAPTRXFP1FLT3
SCHEMBL20339088 0.80 ANO1 (0.58) ANO1TP53MAPTRXFP1KMT2A
SCHEMBL20353877 0.80 ANO1 (0.60) ANO1TP53MAPTRXFP1FLT3
SCHEMBL20339100 0.79 ANO1 (0.57) ANO1TP53MAPTRXFP1FLT3

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-3562818-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS ENYO PHARMA (FR) 2022-05-18 — — EP disclosed
Send feedback