SCHEMBL13739554

SCHEMBL13739554

Cc1sc(-c2ccc(Cl)cc2)cc1C(Cl)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
IKBKB O14920 2/20 0.37
KDM4E B2RXH2 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL13738754 0.76 PRKDC (0.35) MAPTALDH1A1POLBRAB9ANPC1
SCHEMBL13740852 0.73 PRKDC (0.36) MAPTALDH1A1POLBKDM4ERAB9A
SCHEMBL7070583 0.73 ALOX5 (0.41) ALDH1A1
SCHEMBL13738143 0.73 MCHR1 (0.35) MAPTALDH1A1POLBIKBKBKDM4E
SCHEMBL12777778 0.71 MAPT (0.45) MAPTALDH1A1POLBIKBKBKDM4E
SCHEMBL5770536 0.68 MAPT (0.58) MAPTALDH1A1POLBIKBKBKDM4E
SCHEMBL2169920 0.68 MAPT (0.43) MAPTALDH1A1POLBIKBKBKDM4E
SCHEMBL28122768 0.65 CCR1 (0.45) MAPTALDH1A1POLBIKBKBKDM4E
SCHEMBL3978958 0.64 TP53 (0.48) MAPTALDH1A1POLBKMT2AMEN1
SCHEMBL13739552 0.64 GSK3B (0.55) MAPTALDH1A1POLBIKBKBKDM4E

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-2707101-A1 PROTEOSTASIS REGULATORS Proteostasis Therapeutics, Inc. (US) 2014-03-19 EP disclosed
WO-2012154967-A1 PROTEOSTASIS REGULATORS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed