SCHEMBL9231998

SCHEMBL9231998

O=S(=O)(NOc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
KEAP1 Q14145 3/20 0.48
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
ALDH1A1 P00352 4/20 0.46
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAT1 P18440 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGES O14684 1/20 0.44

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
SCHEMBL28743010 0.87 FFAR1 (0.54) PGRCA1CA2MMP1MMP2
SCHEMBL4869139 0.85 PGR (0.60) PGRCA1CA2MMP1MMP2
SCHEMBL7830783 0.82 CA2 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL10529091 0.79 CA1 (0.56) PGRCA1CA2MMP1MMP2
Hydrochloric Acid SCHEMBL6621709 0.78 PGR (0.52) PGRCA1CA2MMP1MMP2
SCHEMBL4565158 0.76 PGR (0.50) PGRCA1CA2MMP1KEAP1
SCHEMBL366135 0.76 CA2 (0.52) PGRCA1CA2MMP1MMP2
SCHEMBL2229037 0.74 CYP2D6 (0.51) ALDH1A1MEN1KMT2AKDM4EHTR6
SCHEMBL7992098 0.74 KMT2A (0.34) PGRCA1CA2ALDH1A1MEN1
SCHEMBL7995667 0.74 CCR2 (0.38) PGRCA1CA2ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 CN claimed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP claimed
CN-1103866-A Nes pesticides RHONE POULENC AGRICULTURE (GB) 1995-06-21 CN disclosed
EP-0634404-A1 Phtalazin derivatives and their use as pesticides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed