SCHEMBL29417519

SCHEMBL29417519

N#Cc1c(Cl)c2ccc(C(F)(F)F)nc2n(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 11/20 0.45
MAPK8 P45983 5/20 0.40
MAPK9 P45984 2/20 0.39
MAPK10 P53779 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CTSK P43235 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28978825 1.00 MAT2A (0.45) MAT2AMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL28978822 0.91 KDM4E (0.42) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL29417550 0.91 KDM4E (0.42) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL29417546 0.89 MAT2A (0.39) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL28978791 0.89 MAT2A (0.39) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL28978817 0.89 LMNA (0.43) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL28874822 0.86 MAT2A (0.59) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL30038981 0.86 MAT2A (0.59) MAT2AALDH1A1KDM4EGLAGAA
SCHEMBL29417557 0.86 MAT2A (0.42) MAT2AMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL28978832 0.86 MAT2A (0.42) MAT2AMAPK8MAPK9MAPK10ALDH1A1

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-2022053022-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 赛诺哈勃药业(成都)有限公司 2022-03-17 WO disclosed