SCHEMBL9448447

SCHEMBL9448447

COCc1c(S(C)(=O)=O)ccc(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.38
CCR2 P41597 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 2/20 0.31
PTGS2 P35354 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL9448538 0.83 EPAS1 (0.31) EPAS1CCR2ALDH1A1
SCHEMBL9448437 0.81 L3MBTL1 (0.34) CCR2
SCHEMBL22090249 0.77 EPAS1 (0.36) EPAS1ALDH1A1HPGD
SCHEMBL9078012 0.77 LMNA (0.39) EPAS1ALDH1A1HPGD
SCHEMBL9075730 0.76 VCAM1 (0.38) EPAS1ALDH1A1HPGDKDM4EPOLB
SCHEMBL9448525 0.75 CCR2 (0.40) EPAS1CCR2ALDH1A1
SCHEMBL3118107 0.75 CCR2 (0.38) EPAS1CCR2ALDH1A1HPGD
SCHEMBL7976409 0.74 ALDH1A1 (0.35) CCR2ALDH1A1KDM4E
SCHEMBL31001623 0.72 CCR2 (0.38) EPAS1CCR2HPGDPTGS2
SCHEMBL8176124 0.72 CCR2 (0.38) EPAS1CCR2HPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34423-E For producing 4-benzoyl-5-hydroxypyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-10-26 US disclosed
US-RE34408-E Reacting carbon monoxide with a 5-hydroxy pyrazole and a substituted benzene NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-10-12 US disclosed
EP-0344775-B1 PROCESS FOR PRODUCING 4-BENZOYL-5-HYDROXYPYRAZOLES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-08-04 EP disclosed
US-5087724-A For herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-02-11 US disclosed
US-4942246-A CARBONYLATION, CONDENSATION, HERBICIDES NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-07-17 US disclosed
EP-0344775-A1 Process for producing 4-benzoyl-5-hydroxypyrazoles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-12-06 EP disclosed