SCHEMBL29556222

SCHEMBL29556222

O=C(Nc1cccc(OC(F)(F)F)c1)Nc1ccnc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.57
▸ KDR P35968 6/20 0.56
▸ EPHX2 P34913 1/20 0.53
▸ NAMPT P43490 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL29555831 0.84 HDAC3 (0.47) BRAFKDREPHX2MAPTNPC1
SCHEMBL29556410 0.82 MTOR (0.61) BRAFKDREPHX2ALDH1A1MAPT
SCHEMBL4110392 0.80 MAPT (0.64) EPHX2ALDH1A1MAPTHTTGAA
SCHEMBL29556176 0.79 RAB9A (0.65) MAPTGAANPC1RAB9AMEN1
SCHEMBL10344917 0.79 TAAR1 (0.61) KDREPHX2FLT3MAPTHTT
SCHEMBL30318910 0.79 TAAR1 (0.61) KDREPHX2FLT3MAPTHTT
SCHEMBL5961454 0.79 EPHX2 (0.57) BRAFKDREPHX2NAMPTFLT3
SCHEMBL11195290 0.79 MAPT (0.68) BRAFKDREPHX2ALDH1A1MAPT
SCHEMBL29555946 0.79 MAPT (0.61) BRAFKDREPHX2NAMPTFLT3
SCHEMBL29555891 0.79 P2RX1 (0.67) EPHX2ALDH1A1MAPTHTTGAA

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
WO-2022078533-A1 SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2022-04-21 — — WO disclosed
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