SCHEMBL29555874

SCHEMBL29555874

COc1cc(F)cc(NC(=O)Nc2cccc(F)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
TP53 P04637 2/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 2/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
MITF O75030 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MTOR P42345 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
LMNA P02545 1/20 0.53
STAT1 P42224 1/20 0.53
GBA1 P04062 1/20 0.53

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
SCHEMBL29556076 0.89 RAB9A (0.68) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29556242 0.89 MAPT (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29556240 0.89 TP53 (0.55) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29556243 0.83 TP53 (0.62) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29556589 0.83 MTOR (0.58) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8350535 0.82 KDM4E (0.67) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL27193042 0.82 RAB9A (0.79) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL30851500 0.82 RAB9A (0.79) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22103791 0.82 TSHR (0.82) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL4893387 0.81 TP53 (0.87) MAPTMEN1KMT2ARAB9ANPC1

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