SCHEMBL24948978

SCHEMBL24948978

O=C1C2=C(CCC=C2c2ccc(Cl)cc2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
MAOB P27338 2/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
NAT1 P18440 1/20 0.42
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
S100A4 P26447 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
MEN1 O00255 1/20 0.36
CDC25B P30305 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 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
SCHEMBL13384396 0.72 CYP3A4 (0.41) MAOBTP53MAPTPTGS2PTGS1
SCHEMBL4198220 0.71 SIGMAR1 (0.37) HSP90AA1FGFR1MAPTPTGS2PTGS1
SCHEMBL87978 0.69 MAOA (0.38) MAOBTP53MAPTADORA2AS100A4
SCHEMBL7101602 0.67 FGFR1 (0.57) HSP90AA1HSP90AB1MAOBFGFR1SRC
SCHEMBL8718783 0.66 MEN1 (0.38) HSP90AA1HSP90AB1MAOBTP53MAPT
SCHEMBL11236776 0.66 APAF1 (0.42) HSP90AA1HSP90AB1TP53MAPTS100A4
SCHEMBL24531544 0.66 PTPRC (0.40) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL21732765 0.65 S100A4 (0.66) MAOBFGFR1SRCFGFR2FGFR4
Ammonia Solution, Strong SCHEMBL27744473 0.65 APAF1 (0.41) HSP90AA1HSP90AB1TP53MAPTS100A4
SCHEMBL4621390 0.64 CDC25B (0.55) TP53MAPTADORA2AS100A4MEN1

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-3523834-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed