SCHEMBL8782525

SCHEMBL8782525

CCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
HCRTR2 O43614 1/20 0.32
POLB P06746 1/20 0.32
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
PTBP1 P26599 1/20 0.31
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8782480 0.93 KMT2A (0.36) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782967 0.90 PTGDR2 (0.34) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782537 0.90 TSPO (0.33) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782453 0.90 KMT2A (0.34) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782216 0.90 PTGDR2 (0.32) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL9680054 0.89 KMT2A (0.33) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8783526 0.88 CYP1A2 (0.33) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8783504 0.87 PTGDR2 (0.31) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782784 0.87 KMT2A (0.32) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E
SCHEMBL8782621 0.87 MAPT (0.35) KMT2AALDH1A1SMN1; SMN2PTGDR2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493925-B1 Pyrazole derivatives having herbicidal activity, their preparation and their use SANKYO CO (JP) 1997-11-05 EP disclosed
US-5424279-A Useful for rice crops SANKYO COMPANY, LIMITED (JP) 1995-06-13 US disclosed
EP-0493925-A1 Pyrazole derivatives having herbicidal activity, their preparation and their use Sankyo Company Limited (JP) 1992-07-08 EP disclosed