SCHEMBL1739396

SCHEMBL1739396

C=CCc1cc(C)c(C(N)=NO)cc1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL1739395 1.00 GABRA1 (0.35) GABRA1GABRB2LMNAGFERKMT2A
SCHEMBL1738361 0.79 LMNA (0.41) GABRA1GABRB2LMNAGFERKMT2A
SCHEMBL1738365 0.79 LMNA (0.41) GABRA1GABRB2LMNAGFERKMT2A
SCHEMBL1739366 0.76 ALDH1A1 (0.42) GABRA1GABRB2LMNAGFERKMT2A
SCHEMBL1739363 0.76 ALDH1A1 (0.42) GABRA1GABRB2LMNAGFERKMT2A
SCHEMBL16503767 0.76 SLC11A2 (0.33) GAA
SCHEMBL10833768 0.72 GABRA1 (0.43) GABRA1GABRB2KMT2AMAPTGAA
SCHEMBL1739398 0.72 GABRA1 (0.36) GABRA1GABRB2GAAPOLB
SCHEMBL11246327 0.71 GABRA1 (0.44) GABRA1GABRB2KMT2AMAPTGAA
SCHEMBL8591081 0.71 GABRA1 (0.54) GABRA1GABRB2LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed