SCHEMBL9749174

SCHEMBL9749174

CCOC(=O)c1c[nH]nc1-c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
PRNP P04156 1/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
MDM2 Q00987 2/20 0.42
CDC25B P30305 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20604139 0.80 IKBKB (0.44) TSHRKMT2AMEN1KDM4EMAPT
SCHEMBL9749076 0.80 ADORA3 (0.43) KMT2AMEN1PRNPKDM4EMAPT
SCHEMBL28026247 0.79 TSHR (0.54) TSHRKMT2AMEN1PRNPMAPK1
SCHEMBL12970520 0.79 PDE10A (0.47) KMT2AMEN1MAPK1L3MBTL1KDM4E
SCHEMBL15662044 0.78 CYP1A2 (0.42) TSHRMAPK1KDM4EJAK2JAK3
SCHEMBL9747984 0.77 MEN1 (0.42) KMT2AMEN1PRNPKDM4EMAPT
SCHEMBL9748942 0.77 KDM4E (0.43) TSHRKMT2AMEN1PRNPL3MBTL1
SCHEMBL2921221 0.77 JAK2 (0.57) TSHRKMT2AMEN1MAPK1L3MBTL1
SCHEMBL15661115 0.77 HSD17B10 (0.50) TSHRKMT2AMAPK1KDM4EMAPT
SCHEMBL6928259 0.76 CDC25B (0.54) TSHRKMT2AMEN1MAPK1L3MBTL1

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-0224842-B1 PYRAZOLESULFONAMIDE DERIVATIVE, PROCESS FOR ITS PRODUCTION AND HERBICIDE CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-05 EP disclosed