SCHEMBL10177495

SCHEMBL10177495

Bc1ccc(-c2nc(C(F)(F)F)cn2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SDHB P21912 1/20 0.42
USP1 O94782 5/20 0.39
PTGS2 P35354 3/20 0.39
PTGS1 P23219 1/20 0.39
BRD4 O60885 4/20 0.38
DGAT1 O75907 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CXCR2 P25025 1/20 0.36
HTR6 P50406 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7469586 0.90 PTGS2 (0.46) SDHBUSP1PTGS2PTGS1BRD4
SCHEMBL9940255 0.86 NR1H2 (0.48) SDHBUSP1PTGS2PTGS1BRD4
SCHEMBL13100054 0.82 PTGS2 (0.61) SDHBPTGS2PTGS1
SCHEMBL16660862 0.81 DGAT1 (0.58) SDHBUSP1PTGS2PTGS1BRD4
SCHEMBL29194233 0.78 DRD2 (0.47) SDHBUSP1DGAT1SMN1; SMN2
SCHEMBL27914819 0.76 BRD4 (0.46) BRD4SMN1; SMN2
SCHEMBL11622203 0.75 PTGS2 (0.51) USP1PTGS2PTGS1DGAT1SMN1; SMN2
SCHEMBL9940251 0.74 DGAT1 (0.55) DGAT1
SCHEMBL10914894 0.74 ESR1 (0.39) SDHBUSP1BRD4DGAT1
SCHEMBL9940249 0.72 DGAT1 (0.55) SDHBUSP1BRD4DGAT1SMN1; SMN2

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
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed