SCHEMBL6472060

SCHEMBL6472060

O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]c(=O)c(Cc2c(Cl)cccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PLA2G1B P04054 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
MLYCD O95822 1/20 0.53
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
TP53 P04637 1/20 0.51
MAPK14 Q16539 1/20 0.48
SNCA P37840 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6471270 0.87 NPC1 (0.47) MEN1KMT2ATDP1LMNAHPGD
SCHEMBL6471331 0.76 SMN1; SMN2 (0.59) MEN1KMT2AGAATDP1LMNA
SCHEMBL10389082 0.75 MEN1 (0.70) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL4470067 0.74 GAA (0.59) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL6472533 0.73 AKR1B1 (0.40) MEN1KMT2ARAB9A
SCHEMBL23447721 0.73 MLYCD (0.77) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL5227678 0.73 MLYCD (0.86) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23978884 0.72 MEN1 (0.73) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL5261051 0.72 MLYCD (0.80) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL10389355 0.72 LMNA (0.68) MEN1KMT2APLA2G1BCYP1A2CYP3A4

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed