SCHEMBL23769501

SCHEMBL23769501

Cc1cc2ccc(NC(=O)Nc3ccc4c(c3)OCC(=O)N4c3ccccc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.43
CDK8 P49336 4/20 0.42
TDP1 Q9NUW8 2/20 0.40
FPR2 P25090 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
ITK Q08881 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL23769049 0.85 P2RX4 (0.45) P2RX4CDK8TDP1FPR2MAOA
SCHEMBL29979030 0.85 P2RX4 (0.45) P2RX4CDK8TDP1FPR2MAOA
SCHEMBL25138406 0.84 ITGB3 (0.51) CDK8TDP1ITGB3ITGA2B
SCHEMBL23768828 0.78 CFTR (0.41) P2RX4CDK8TDP1FPR2MAOA
SCHEMBL29979369 0.78 CFTR (0.41) P2RX4CDK8TDP1FPR2MAOA
SCHEMBL23768829 0.71 KDM4E (0.44) NPC1RAB9AMAPTKDM4EITGB3
SCHEMBL754538 0.71 NR3C2 (0.53) GAAHPGD
SCHEMBL29979318 0.70 ITGB3 (0.51) CDK8TDP1ITGB3ITGA2B
SCHEMBL23769073 0.70 ITGB3 (0.51) CDK8TDP1ITGB3ITGA2B
SCHEMBL23768991 0.69 NPC1 (0.49) NPC1RAB9AMAPTMEN1KMT2A

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-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 WO disclosed