SCHEMBL5797677

SCHEMBL5797677

Nc1cc2c(c(Nc3ccc(C(F)(F)F)cc3)c1)CCNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 4/20 0.39
KIF11 P52732 1/20 0.39
ASIC3 Q9UHC3 1/20 0.37
TEAD1 P28347 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
PTGIR P43119 1/20 0.36
CD44 P16070 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
EGFR P00533 1/20 0.34
MAPK14 Q16539 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
SCHEMBL31018417 0.81 TEAD1 (0.52) DHODHKIF11ASIC3TEAD1TEAD4
Hydrochloric Acid SCHEMBL31018396 0.80 TEAD1 (0.51) DHODHKIF11ASIC3TEAD1TEAD4
Hydrochloric Acid SCHEMBL31163325 0.77 ASIC3 (0.44) KIF11ASIC3CD44HTR2AHTR2C
SCHEMBL4872581 0.73 DHODH (0.45) DHODHPTGIR
SCHEMBL14086114 0.72 TRPV1 (0.53) DHODHHTR2AHTR2C
Hydrochloric Acid SCHEMBL31447583 0.70 TEAD1 (0.47) L3MBTL1TEAD1EGFR
SCHEMBL4867757 0.70 FAAH (0.49) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL31018406 0.69 TEAD1 (0.51) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL31018386 0.69 ASIC3 (0.44) KIF11ASIC3TEAD1TEAD4TEAD2
SCHEMBL4871515 0.68 TRPV1 (0.57) DHODHEGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 WO disclosed