SCHEMBL9360730

SCHEMBL9360730

COC(=O)c1ccccc1NC(=O)CSc1ccc2cc(O)c(O)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.70
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 3/20 0.60
MAPK10 P53779 2/20 0.60
LMNA P02545 2/20 0.57
MAPK1 P28482 1/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
PRMT5 O14744 4/20 0.54
WDR77 Q9BQA1 4/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL9364442 0.87 LMNA (0.69) L3MBTL1KDM4EALDH1A1LMNAMAPK1
SCHEMBL4732827 0.82 L3MBTL1 (1.00) L3MBTL1KDM4EALDH1A1MAPK10LMNA
SCHEMBL4732905 0.81 L3MBTL1 (0.81) L3MBTL1KDM4EALDH1A1MAPK10LMNA
SCHEMBL8689099 0.78 L3MBTL1 (0.75) L3MBTL1KDM4EALDH1A1MAPK10LMNA
SCHEMBL9360670 0.78 TP53 (0.54) L3MBTL1KDM4EALDH1A1LMNAMAPK1
SCHEMBL10502377 0.73 KMT2A (1.00) L3MBTL1KDM4EALDH1A1MAPK10MAPK1
SCHEMBL7463414 0.73 L3MBTL1 (0.60) L3MBTL1KDM4EALDH1A1LMNAMAPK1
SCHEMBL4734002 0.72 LMNA (1.00) L3MBTL1KDM4EALDH1A1MAPK10LMNA
SCHEMBL12127483 0.72 MAPT (0.72) L3MBTL1KDM4EALDH1A1MAPK10LMNA
SCHEMBL9360242 0.72 MAPT (0.45) L3MBTL1KDM4EALDH1A1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed