SCHEMBL8424094

SCHEMBL8424094

CCOc1ccccc1N.CCOc1ccccc1NC=C1C(=O)N(c2ccc(S(=O)(=O)N3CCCCC3)cc2)N=C1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KMT2A Q03164 4/20 0.40
GAA P10253 1/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8424091 1.00 KDM4E (0.46) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL6952740 0.95 KDM4E (0.50) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL6952744 0.95 KDM4E (0.50) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL8022346 0.92 PTGS2 (0.42) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL8423675 0.92 PTGS2 (0.42) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL8427561 0.88 PTGS2 (0.56) KDM4EMAPTPTGS2ALDH1A1NPSR1
SCHEMBL8427560 0.88 PTGS2 (0.56) KDM4EMAPTPTGS2ALDH1A1NPSR1
SCHEMBL6947197 0.87 KDM4E (0.45) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL6947196 0.87 KDM4E (0.45) KDM4EUSP2SMN1; SMN2HSD17B10MAPT
SCHEMBL8427590 0.86 MEN1 (0.39) KDM4ESMN1; SMN2MAPTALDH1A1KMT2A

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-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed