SCHEMBL8301349

SCHEMBL8301349

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
ALOX12 P18054 2/20 0.34
CYP2C19 P33261 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 1/20 0.33
IKBKB O14920 1/20 0.33
MAP3K14 Q99558 1/20 0.33
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL8302118 0.92 DPP4 (0.35) KMT2AALPLALDH1A1HEXAHEXB
SCHEMBL8301326 0.91 CA12 (0.35) ALPLALDH1A1RAB9ASMN1; SMN2EGFR
SCHEMBL8303044 0.91 FABP3 (0.33) MEN1KMT2ANPSR1MAPTCYP1A2
SCHEMBL8301544 0.91 GHSR (0.34) PTGS2
SCHEMBL8300662 0.89 MAPT (0.38) MEN1KMT2AMAPTGPR55ALPL
SCHEMBL8306931 0.87 HEXA (0.34) MEN1KMT2AMAPTPTGS2KDM4E
SCHEMBL8300843 0.86 GSK3B (0.34) PTGS2PROKR1
SCHEMBL8303758 0.84 HEXA (0.35) MEN1KMT2ACNR1CNR2HEXA
SCHEMBL8305579 0.84 MAPT (0.33) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL8304177 0.83 FABP4 (0.38) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed