SCHEMBL8562957

SCHEMBL8562957

NC(c1c[nH]c2ccccc12)C(C(=O)NO)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.44
GAA P10253 3/20 0.44
SI P14410 3/20 0.44
MGAM2 Q2M2H8 3/20 0.44
STING1 Q86WV6 2/20 0.43
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.37

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
SCHEMBL8564148 0.90 LMNA (0.43) STING1MMP2MMP9HDAC3HDAC4
SCHEMBL8558984 0.87 MMP13 (0.55) MGAMGAASIMGAM2MMP2
SCHEMBL8559057 0.87 MGAM (0.43) MGAMGAASIMGAM2STING1
SCHEMBL950269 0.77 MGAM (0.49) MGAMGAASIMGAM2STING1
SCHEMBL29678902 0.68 MAPT (0.51) MGAMGAASIMGAM2MEN1
SCHEMBL7379197 0.68 MMP9 (0.84) MMP2MMP9HDAC2HDAC8HDAC6
SCHEMBL7379195 0.68 MMP9 (0.84) MMP2MMP9HDAC2HDAC8HDAC6
SCHEMBL949157 0.66 GPR84 (0.49) MGAMGAASIMGAM2MMP2
SCHEMBL27517928 0.65 HTR2A (0.49) MGAMGAASIMGAM2MEN1
SCHEMBL8795676 0.65 GPR84 (0.53) MGAMGAASIMGAM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804593-A FOR TREATMENT OF CONNECTIVE TISSUE DEGRADATION, OSTEO-, RHEUMATOID-, AND SEPTIC ARTHRITIS; OSTEOPENIAS, OSTEOPOROSIS, CORNEAL ULCERATION, PERIDONTAL DISEASE, GASTRIC ULCERS. PHARMACIA & UPJOHN COMPANY (US) 1998-09-08 US disclosed