SCHEMBL9401101

SCHEMBL9401101

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
TP53 P04637 3/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9401102 0.93 MAPT (0.46) MAPTTP53THRBALDH1A1MEN1
SCHEMBL9027438 0.93 MAPT (0.45) MAPTTP53THRBALDH1A1LMNA
SCHEMBL9029415 0.92 MAPT (0.45) MAPTTP53ALDH1A1LMNAMEN1
SCHEMBL9401171 0.91 MAPT (0.56) MAPTTHRBALDH1A1MEN1KMT2A
SCHEMBL9028732 0.86 EIF4E (0.44) MAPTTP53THRBMEN1KMT2A
SCHEMBL9027009 0.81 MAPT (0.45) MAPTTP53THRBALDH1A1LMNA
SCHEMBL9401114 0.81 MAPT (0.32) MAPTCYP1A2KDM4ECYP2D6CYP2C9
SCHEMBL9029323 0.79 MAPT (0.41) MAPTTP53THRBALDH1A1LMNA
SCHEMBL9028748 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9026772 0.75 MAPT (0.46) MAPTTP53THRBMEN1KMT2A

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