SCHEMBL29693545

SCHEMBL29693545

NC(=O)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
PLA2G1B P04054 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MAPK14 Q16539 1/20 0.54
EPHX1 P07099 1/20 0.52
ATM Q13315 1/20 0.52
RPS6KB1 P23443 3/20 0.52

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
SCHEMBL4576177 1.00 MLYCD (0.60) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL1052230 0.88 MLYCD (0.63) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL31173731 0.88 MLYCD (0.63) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL15682652 0.87 MLYCD (0.59) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL15682773 0.86 MLYCD (0.62) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL17231401 0.85 MLYCD (0.60) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL24713109 0.84 MLYCD (0.67) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL25779257 0.84 MTOR (0.55) MLYCDRPS6KB1AURKA
SCHEMBL30661718 0.83 MLYCD (0.65) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL13884195 0.82 L3MBTL1 (0.64) MLYCDMEN1KMT2APLA2G1BCYP1A2

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-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed