SCHEMBL7694533

SCHEMBL7694533

Cc1c(-c2cc(C(=O)O)c(Cl)cc2F)nn(C)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.35
RORC P51449 3/20 0.34
AURKA O14965 1/20 0.33
TPX2 Q9ULW0 1/20 0.33
TSHR P16473 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 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
SCHEMBL7687809 0.83 AR (0.33) RORC
SCHEMBL7686737 0.81 PDE10A (0.30)
SCHEMBL7688339 0.81 LMNA (0.32)
SCHEMBL8546587 0.80 RORC (0.36) NTRK1RORCTSHRALDH1A1L3MBTL1
SCHEMBL7690601 0.79 HSP90AB1 (0.39) PDE4D
SCHEMBL7690605 0.75 HSD11B1 (0.39) L3MBTL1
SCHEMBL7968440 0.75
SCHEMBL7688573 0.75
SCHEMBL7690607 0.75 PGR (0.43)
SCHEMBL4067277 0.75 NTRK1 (0.37) NTRK1RORC

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