SCHEMBL9364442

SCHEMBL9364442

O=C(CSc1ccc2cc(O)c(O)cc2c1)Nc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MAPT P10636 3/20 0.53
CTSK P43235 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
HCAR2 Q8TDS4 3/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ANPEP P15144 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.49
STAT3 P40763 1/20 0.49

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
SCHEMBL9360730 0.87 L3MBTL1 (0.70) LMNAKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL8485405 0.82 LMNA (1.00) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4911962 0.81 KMT2A (0.71) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL9360670 0.81 TP53 (0.54) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4910018 0.79 KMT2A (0.81) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL4736437 0.79 KMT2A (0.81) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL9473982 0.79 KMT2A (0.75) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL9360242 0.77 MAPT (0.45) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL8689047 0.76 LMNA (0.75) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL14066070 0.76 KMT2A (0.75) LMNAKMT2AMEN1NPC1RAB9A

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