SCHEMBL11536149

SCHEMBL11536149

CSc1ccc(C(C)(c2ccccc2)n2cncn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.55
LMNA P02545 1/20 0.38
HSP90AA1 P07900 2/20 0.37
KIF11 P52732 1/20 0.35
FGFR1 P11362 1/20 0.32
MAPT P10636 1/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL11532322 0.87 CYP19A1 (0.63) CYP19A1LMNAHSP90AA1MAPTTDP1
SCHEMBL11535690 0.86 CYP19A1 (0.40) CYP19A1LMNAHSP90AA1KIF11FGFR1
SCHEMBL11533166 0.83 CYP19A1 (0.59) CYP19A1LMNAHSP90AA1KIF11MAPT
SCHEMBL11533125 0.82 CYP19A1 (0.57) CYP19A1LMNAHSP90AA1
SCHEMBL11533863 0.80 LMNA (0.40) CYP19A1LMNAHSP90AA1KIF11MAPT
SCHEMBL11537084 0.79 CYP19A1 (0.55) CYP19A1LMNAHSP90AA1KIF11MAPT
SCHEMBL11535619 0.79 CYP19A1 (0.55) CYP19A1LMNAHSP90AA1MAPTKDM4E
SCHEMBL11534144 0.78 CYP19A1 (0.54) CYP19A1LMNAHSP90AA1ALDH1A1TDP1
SCHEMBL11534672 0.75 CYP19A1 (0.50) CYP19A1LMNAHSP90AA1KIF11MAPT
SCHEMBL11535433 0.75 CYP19A1 (0.49) CYP19A1LMNAHSP90AA1MAPTPTGS2

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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed