SCHEMBL13625756

SCHEMBL13625756

O=C(NCc1cccc(C(F)(F)F)c1)c1cc(CO)cc(C(=O)NCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
PLA2G1B P04054 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
GAA P10253 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ATG4B Q9Y4P1 1/20 0.72
MLYCD O95822 2/20 0.70
MAPK14 Q16539 1/20 0.62
PRKCA P17252 1/20 0.62
PRKCD Q05655 1/20 0.62
LMNA P02545 2/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
CCR1 P32246 2/20 0.52
HDAC3 O15379 1/20 0.51

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
SCHEMBL13625699 0.92 PRKCA (0.63) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL23447721 0.86 MLYCD (0.77) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL5227678 0.86 MLYCD (0.86) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL5261051 0.85 MLYCD (0.80) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL4495476 0.82 MLYCD (0.80) MEN1KMT2APLA2G1BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6171274 0.82 MLYCD (0.67) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL1568282 0.81 MLYCD (0.74) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL26625298 0.81 MLYCD (0.70) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL13445241 0.81 MLYCD (0.78) MEN1KMT2APLA2G1BCYP1A2CYP3A4
SCHEMBL14797059 0.81 MLYCD (0.74) 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-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed