SCHEMBL20540420

SCHEMBL20540420

CN(C)C(=O)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.58
APEX1 P27695 1/20 0.57
EPHX1 P07099 1/20 0.55
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
MAPT P10636 2/20 0.51
EGFR P00533 1/20 0.51
ALK Q9UM73 1/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
IDO1 P14902 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4030047 0.86 RAB9A (0.64) TSHRAPEX1PDK1PDK2PDK3
SCHEMBL7254129 0.84 KCNMA1 (0.58) MEN1KMT2APOLBTSHRMAPT
SCHEMBL11554796 0.81 MEN1 (0.51) MEN1KMT2APOLBEPHX1PDK1
SCHEMBL11135310 0.81 TSHR (0.56) POLBTSHRAPEX1MAPTNPC1
SCHEMBL11801105 0.81 MAPK1 (0.56) MEN1KMT2APOLBTSHRAPEX1
SCHEMBL9819465 0.80 MAPT (0.59) MEN1KMT2APOLBEPHX1PDK1
SCHEMBL2388970 0.79 EPHX1 (0.70) MEN1KMT2APOLBEPHX1PDK1
SCHEMBL1016535 0.79 TSHR (0.54) TSHRAPEX1MAPTNPC1RAB9A
SCHEMBL10706727 0.79 TSHR (0.50) MEN1KMT2APOLBTSHRAPEX1
SCHEMBL10810548 0.79 TSHR (0.50) MEN1KMT2APOLBTSHRAPEX1

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
US-20180305231-A1 COMPOSITE, A METHOD OF MAKING THEREOF, AND A METHOD FOR DEGRADING A POLLUTANT KING ABDULAZIZ UNIVERSITY (SA) 2018-10-25 US disclosed