SCHEMBL7654948

SCHEMBL7654948

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
CYP19A1 P11511 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNA7 P36544 1/20 0.36
MMP12 P39900 3/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP15 P51511 2/20 0.36

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
SCHEMBL7658355 0.97 ESR1 (0.39) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7661855 0.97 ESR1 (0.39) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7651679 0.92 KDM4E (0.44) MMP1LMNATSHRALDH1A1ESR1
Hydrochloric Acid SCHEMBL7654884 0.91 ADH5 (0.42) TSHRESR1CYP19A1ESR2ALOX15
SCHEMBL7659207 0.90 CHRNA7 (0.36) MMP1LMNASMN1; SMN2ALDH1A1ESR1
SCHEMBL7654117 0.89 LMNA (0.35) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7659859 0.89 LMNA (0.39) MMP1LMNASMN1; SMN2TSHRHTT
SCHEMBL7656362 0.88 PSEN1 (0.41) MMP1LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL7649774 0.88 GPR119 (0.39) MMP1LMNATSHRHTTALDH1A1
SCHEMBL7658123 0.88 LMNA (0.42) MMP1LMNASMN1; SMN2TSHRHTT

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-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed