SCHEMBL20596174

SCHEMBL20596174

CC(C)(O)Cn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS2 Q96GW9 9/20 0.79
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.32
P2RX3 P56373 1/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL20595889 0.92 MARS2 (0.79) MARS2TSHRHTTCYP1A2CYP3A4
SCHEMBL20595827 0.90 MARS2 (0.81) MARS2
SCHEMBL20596139 0.89 MARS2 (0.72) MARS2P2RX3SMN1; SMN2ALDH1A1
SCHEMBL20596040 0.89 MARS2 (1.00) MARS2MEN1KMT2ATSHRCYP1A2
SCHEMBL20595839 0.88 MARS2 (0.64) MARS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL20595884 0.87 MARS2 (0.86) MARS2TSHRALDH1A1
SCHEMBL20595917 0.87 MARS2 (0.80) MARS2MEN1KMT2ATSHRP2RX3
SCHEMBL23391517 0.86 MARS2 (0.59) MARS2MEN1KMT2ATSHRP2RX3
SCHEMBL30145349 0.86 MARS2 (0.59) MARS2MEN1KMT2ATSHRP2RX3
SCHEMBL20596052 0.85 MARS2 (0.80) MARS2MEN1KMT2ATSHRHTT

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-2018237349-A1 INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM UNIVERSITY OF WASHINGTON (US) 2018-12-27 WO claimed