SCHEMBL9401102

SCHEMBL9401102

COC=CC(=O)O.Cc1ccccc1C=C(F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 2/20 0.37
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PARP1 P09874 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9027438 0.98 MAPT (0.45) MAPTTP53THRBRAB9ANPC1
SCHEMBL9029415 0.94 MAPT (0.45) MAPTTP53RAB9ANPC1CASP3
SCHEMBL9401101 0.93 MAPT (0.44) MAPTTP53THRBRAB9ANPC1
SCHEMBL9401171 0.93 MAPT (0.56) MAPTTHRBRAB9ANPC1ALDH1A1
SCHEMBL9028732 0.89 EIF4E (0.44) MAPTTP53THRBRAB9ANPC1
SCHEMBL9027009 0.86 MAPT (0.45) MAPTTP53THRBRAB9ANPC1
SCHEMBL9401114 0.83 MAPT (0.32) MAPTKDM4E
SCHEMBL9026772 0.77 MAPT (0.46) MAPTTP53THRBRAB9ANPC1
SCHEMBL9028748 0.76 ALDH1A1 (0.36) ALDH1A1DHODH
SCHEMBL9027887 0.75 MAPT (0.40) MAPTRAB9ANPC1SMN1; SMN2MEN1

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-5310746-A Insecticides, miticides, nematocides ROUSSEL UCLAF (FR) 1994-05-10 US disclosed