SCHEMBL9751008

SCHEMBL9751008

CCCCCCCCCCCCOc1ccc(/N=N/c2ccc(C(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 6/20 0.56
RARB P10826 3/20 0.53
MLYCD O95822 1/20 0.51
PLA2G4A P47712 1/20 0.51
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49

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
SCHEMBL9331852 1.00 TP53 (0.57) TP53TSHRPLA2G4BRARBMLYCD
SCHEMBL7246449 0.92 TP53 (0.67) TP53TSHRPLA2G4BRARBMLYCD
SCHEMBL7247487 0.92 TP53 (0.67) TP53TSHRPLA2G4BRARBMLYCD
SCHEMBL15000394 0.92 TP53 (0.67) TP53TSHRPLA2G4BRARBMLYCD
SCHEMBL15000339 0.87 TP53 (0.58) TP53TSHRPLA2G4BRARBMLYCD
SCHEMBL9751017 0.84 MLYCD (0.48) MLYCDNPC1RAB9A
SCHEMBL9332185 0.84 MLYCD (0.48) MLYCDNPC1RAB9A
SCHEMBL9133405 0.83 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL8905135 0.83 TP53 (0.82) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL18405945 0.83 GAA (0.71) TP53TSHRPLA2G4BRARBPLA2G4A

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-5037968-A Ion Selective Membranes Of Ion Selective Electrodes; Color Indicators Moller, Willi (CH) 1991-08-06 US disclosed