SCHEMBL9751876

SCHEMBL9751876

CC(=O)c1cccc(S(=O)(=O)c2ccccc2)c1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.45
MMP2 P08253 5/20 0.44
MMP9 P14780 5/20 0.44
MMP8 P22894 5/20 0.44
MMP12 P39900 5/20 0.44
MMP13 P45452 5/20 0.44
MMP14 P50281 5/20 0.44
MMP16 P51512 5/20 0.44
MMP3 P08254 3/20 0.44
MMP1 P03956 3/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
BCAT2 O15382 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL6040902 0.86 MMP2 (0.53) HTR6MMP2MMP9MMP8MMP12
SCHEMBL3148854 0.83 HTR6 (0.45) HTR6MMP2MMP9MMP8MMP12
SCHEMBL34677 0.79 NPSR1 (0.47) HTR6MMP2MMP9MMP8MMP12
SCHEMBL29676384 0.79 NPSR1 (0.47) HTR6MMP2MMP9MMP8MMP12
SCHEMBL18217890 0.79 BCAT2 (0.49) MMP2MMP9MMP8MMP13MMP1
SCHEMBL4436459 0.77 HTR6 (0.44) HTR6MMP2MMP9MMP8MMP12
SCHEMBL7081730 0.76 GAA (0.52) LMNAKMT2AKDM4EMAPTNPSR1
SCHEMBL28618805 0.75 NPSR1 (0.46) HTR6MMP2MMP9MMP8MMP12
SCHEMBL505289 0.74 MMP2 (0.58) HTR6MMP2MMP9MMP8MMP12
SCHEMBL11035205 0.74 HTR6 (0.50) HTR6LMNAKMT2AKDM4EMAPT

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-0444142-A4 POLYQUINOLINE COPOLYMERS 1991-10-16 EP disclosed
EP-0444142-A1 POLYQUINOLINE COPOLYMERS HITACHI CHEMICAL CO., LTD. (JP) 1991-09-04 EP disclosed