SCHEMBL8562962

SCHEMBL8562962

N[C@@](Cc1c[nH]c2ccccc12)(C(=O)NO)S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.45
MMP9 P14780 6/20 0.44
MMP2 P08253 5/20 0.44
ALDH1A1 P00352 3/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
FPR2 P25090 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL8564151 0.90 LMNA (0.49) MMP9MMP2ALDH1A1CDK4CCND1
SCHEMBL8560568 0.88 MMP9 (0.51) MMP9MMP2CDK4CCND1MEN1
SCHEMBL8559061 0.87 MEN1 (0.43) GOT1MMP9MMP2ALDH1A1CDK4
SCHEMBL25214007 0.70 CYP19A1 (0.60) MMP9MMP2HDAC3HDAC4HDAC1
SCHEMBL7379195 0.70 MMP9 (0.84) MMP9MMP2HDAC2HDAC8HDAC6
SCHEMBL7379197 0.70 MMP9 (0.84) MMP9MMP2HDAC2HDAC8HDAC6
SCHEMBL8653778 0.69 MAPT (0.55) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2948668 0.69 CYP19A1 (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22500298 0.68 MMP9 (0.83) MMP9MMP2MEN1KMT2A
SCHEMBL22500283 0.68 MMP9 (0.83) MMP9MMP2MEN1KMT2A

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