SCHEMBL7017715

SCHEMBL7017715

CCOC(=O)c1ccc(C(F)(F)F)cc1CN1CN(C)C(Br)=N1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL27492274 0.77 MAPT (0.37) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5408510 0.76 KDM4E (0.39) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27472374 0.75 MRGPRX4 (0.47) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5405115 0.75 MRGPRX4 (0.48) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20502400 0.72 ENPP2 (0.52)
SCHEMBL8997654 0.72 MRGPRX4 (0.47) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4691963 0.70 CA12 (0.50) MAPTNPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL22719416 0.70 MRGPRX4 (0.47) THRBMAPTNPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL7107456 0.69 KDM4E (0.51) MRGPRX4KDM4E
SCHEMBL5943406 0.68 CA12 (0.64) MAPTNPC1RAB9ASMN1; SMN2MRGPRX4

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
EP-1165547-B1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-27 EP disclosed