SCHEMBL20596641

SCHEMBL20596641

CCOC(=O)Cc1cn2c(Br)ccc(OC(=O)NC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 8/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
TDP1 Q9NUW8 5/20 0.37
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
THRB P10828 3/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 3/20 0.35
FPR1 P21462 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
JAK2 O60674 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL20596644 0.79 KDM4E (0.41) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL20596642 0.79 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL20595976 0.76 ALDH1A1 (0.39) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL20596634 0.75 LMNA (0.40) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL20596633 0.72 GAA (0.47) SMN1; SMN2KDM4EMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL23391613 0.71 GAA (0.46) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL20595928 0.67 KDM4E (0.43) SMN1; SMN2KDM4EMEN1KMT2AMAPT
SCHEMBL20596629 0.67 ALDH1A1 (0.47) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL7319485 0.67 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EMEN1KMT2ATDP1
SCHEMBL16278345 0.65 KDM4E (0.42) SMN1; SMN2KDM4EMEN1KMT2ATDP1

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 disclosed