SCHEMBL8933833

SCHEMBL8933833

FC(F)(F)c1nnc2c3ccccc3coc1-2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
ENPP1 P22413 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KHK P50053 1/20 0.31
GLA P06280 1/20 0.31
KAT2B Q92831 1/20 0.30
DCTPP1 Q9H773 1/20 0.30

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
SCHEMBL8933988 0.69 MAPT (0.35) MAPTMEN1KMT2AENPP1LMNA
SCHEMBL8933931 0.68 NISCH (0.35) ENPP1
SCHEMBL4503571 0.67 KDM4E (0.38) MAPTMEN1POLBKMT2ALMNA
SCHEMBL4585151 0.61 ALOX5 (0.39) MAPTMEN1KMT2AENPP1LMNA
SCHEMBL4079696 0.60 CYP2A6 (0.42) MAPTPOLBLMNACYP1A2CYP2C9
SCHEMBL10902564 0.60 MAPT (0.41) MAPTPOLBLMNACYP1A2CYP2C9
SCHEMBL14280970 0.59 ENPP1 (0.47) MAPTENPP1NPSR1ELANEKDM4E
SCHEMBL731681 0.59 KDM4E (0.46) MAPTPOLBLMNACYP1A2CYP2C9
SCHEMBL25286620 0.59 MAPT (0.34) MAPTMEN1KMT2AENPP1LMNA
SCHEMBL3296726 0.59 CFTR (0.58) MAPTKMT2ALMNACYP1A2CYP2C19

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-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed