SCHEMBL7659207

SCHEMBL7659207

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Sc2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MLLT1 Q03111 1/20 0.34
MMP8 P22894 2/20 0.34
ADH5 P11766 1/20 0.34
MMP3 P08254 1/20 0.34
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP12 P39900 3/20 0.33
MMP14 P50281 3/20 0.33
MMP15 P51511 3/20 0.33
MMP16 P51512 3/20 0.33
MMP26 Q9NRE1 3/20 0.33
PORCN Q9H237 2/20 0.33

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
Hydrochloric Acid SCHEMBL7654884 0.91 ADH5 (0.42) CHRNA7HTR2AHTR2CHTR2BMLLT1
SCHEMBL7654948 0.90 MMP1 (0.38) CHRNA7HTR2AHTR2CHTR2BMMP8
SCHEMBL7652350 0.89 MMP8 (0.36) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7661855 0.87 ESR1 (0.39) ADH5ESR1CYP19A1ESR2MMP1
SCHEMBL7658355 0.87 ESR1 (0.39) ADH5ESR1CYP19A1ESR2MMP1
SCHEMBL7651679 0.83 KDM4E (0.44) ADH5ESR1CYP19A1ESR2MMP1
SCHEMBL7654117 0.79 LMNA (0.35) MMP8MMP3MMP1MMP2MMP9
SCHEMBL7656362 0.78 PSEN1 (0.41) MMP8MMP3ESR1CYP19A1MMP1
SCHEMBL7649774 0.78 GPR119 (0.39) CHRNA7MMP8MMP3ESR1CYP19A1
SCHEMBL7659859 0.78 LMNA (0.39) MMP8MMP3MMP1MMP2MMP9

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