SCHEMBL7690146

SCHEMBL7690146

Nc1ccc(N(C(=O)c2ccccc2F)C(=O)c2ccccc2F)c(C(F)(F)F)c1.Nc1ccc(NC(=O)c2ccccc2F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TRPV1 Q8NER1 1/20 0.45
PTGS1 P23219 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNMA1 Q12791 1/20 0.40
GRM4 Q14833 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6814891 0.89 KDM4E (0.55) KDM4ETRPV1PTGS1MAPTMEN1
SCHEMBL6819588 0.89 PTGS1 (0.41) TRPV1PTGS1MAPTMEN1KMT2A
SCHEMBL7785240 0.76 MAPT (0.52) KDM4ETRPV1PTGS1MAPTMEN1
SCHEMBL30279461 0.75 PTGS1 (0.52) KDM4EPTGS1MAPTMEN1KMT2A
SCHEMBL21391974 0.75 PTGS1 (0.52) KDM4EPTGS1MAPTMEN1KMT2A
SCHEMBL7785239 0.74 CYP1A2 (0.50) KDM4ETRPV1PTGS1MAPTMEN1
SCHEMBL3528827 0.72 MAPT (0.62) KDM4EPTGS1MAPTMEN1KMT2A
SCHEMBL6819278 0.72 GRM4 (0.62) KDM4ETRPV1MAPTMEN1KMT2A
SCHEMBL30007749 0.72 TRPV1 (0.58) KDM4ETRPV1MAPTMEN1KMT2A
SCHEMBL17664532 0.72 KMT2A (0.57) KDM4ETRPV1PTGS1MAPTMEN1

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-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed