SCHEMBL21443520

SCHEMBL21443520

CSc1ncc(C(=O)OC(C)C)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
AHR P35869 1/20 0.44
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
SYK P43405 1/20 0.37
THRB P10828 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
SCHEMBL5211841 0.83 MEN1 (0.47) MEN1KMT2AAHRMAPTHPGD
SCHEMBL3865834 0.81 NFKB1 (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL29827391 0.81 NFKB1 (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL17773665 0.81 MEN1 (0.51) MEN1KMT2AAHRMAPTHPGD
SCHEMBL29506595 0.79 MAPT (0.61) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL188686 0.79 MAPT (0.61) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL25014139 0.79 ALDH1A1 (0.40) KMT2AMAPTALDH1A1POLBNPC1
SCHEMBL2012010 0.78 MAPT (0.46) MEN1KMT2AAHRMAPTHPGD
SCHEMBL2226205 0.78 MEN1 (0.60) MEN1KMT2AAHRMAPTHPGD
SCHEMBL5656811 0.78 MEN1 (0.51) MEN1KMT2AAHRMAPTHPGD

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
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 EP disclosed