SCHEMBL8306715

SCHEMBL8306715

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccc(OC)cc2Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALOX12 P18054 2/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP2K4 P45985 3/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34

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
SCHEMBL8300662 0.85 MAPT (0.38) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL8300550 0.85 MAPT (0.37) MAPTKDM4EMAP2K4TP53ROCK2
SCHEMBL8301349 0.81 MEN1 (0.34) MEN1KMT2AALOX12MAPTCNR1
SCHEMBL8302118 0.78 DPP4 (0.35) KMT2A
SCHEMBL8301544 0.78 GHSR (0.34)
SCHEMBL8301326 0.78 CA12 (0.35)
SCHEMBL4968960 0.77 ALDH1A1 (0.32) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL8303758 0.77 HEXA (0.35) MEN1KMT2ACNR1CNR2
SCHEMBL8300843 0.77 GSK3B (0.34)
SCHEMBL7947377 0.76 RAB9A (0.35) CRHR1KMT2AFLT1FLT4KDR

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