SCHEMBL7686734

SCHEMBL7686734

COc1cc(-c2nn(C)c(C#N)c2C)c(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.49
HSP90AA1 P07900 7/20 0.49
KCNH2 Q12809 1/20 0.36
NPC1 O15118 1/20 0.34
SRC P12931 3/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CCR6 P51684 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7690601 0.89 HSP90AB1 (0.39) HSP90AB1HSP90AA1KCNH2SRCPDE2A
SCHEMBL7694982 0.83 PGK1 (0.40) HSP90AB1HSP90AA1KCNH2
SCHEMBL7689395 0.81 HSP90AA1 (0.31) HSP90AB1HSP90AA1
SCHEMBL7694251 0.81 HSP90AA1 (0.31) HSP90AB1HSP90AA1
SCHEMBL7693284 0.81 AR (0.33) HSP90AB1HSP90AA1
SCHEMBL7489274 0.77 HSP90AB1 (0.38) HSP90AB1HSP90AA1KCNH2SRCPDE2A
SCHEMBL7692799 0.73 PGK1 (0.38)
SCHEMBL7688339 0.70 LMNA (0.32) PDE10A
SCHEMBL7686737 0.70 PDE10A (0.30) PDE10A
SCHEMBL7687809 0.70 AR (0.33) PDE10A

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
US-6339046-B1 FOR CONTROLLING WEEDS SYNGENTA INVESTMENT CORPORATION 2002-01-15 US disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed