SCHEMBL7651679

SCHEMBL7651679

O=C(O)C1c2occc2CCN1S(=O)(=O)c1ccc(Oc2ccc(-n3ccnc3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MMP1 P03956 7/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP12 P39900 4/20 0.34
MMP14 P50281 4/20 0.34
MMP15 P51511 4/20 0.34
MMP16 P51512 4/20 0.34
MMP26 Q9NRE1 4/20 0.34
MMP7 P09237 3/20 0.34

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
SCHEMBL7654948 0.92 MMP1 (0.38) KDM4EUSP2POLBHPGDALOX15
SCHEMBL7658355 0.90 ESR1 (0.39) KDM4EUSP2POLBHPGDALOX15
SCHEMBL7661855 0.90 ESR1 (0.39) KDM4EUSP2POLBHPGDALOX15
SCHEMBL7654117 0.86 LMNA (0.35) TSHRALDH1A1LMNAMMP1MMP2
Hydrochloric Acid SCHEMBL7654884 0.85 ADH5 (0.42) ALOX15TSHRCYP3A4ADH5ESR1
SCHEMBL7659207 0.83 CHRNA7 (0.36) ALDH1A1LMNACYP3A4MMP1MMP2
SCHEMBL7659859 0.81 LMNA (0.39) TSHRALDH1A1LMNAMMP1MMP2
SCHEMBL7649774 0.81 GPR119 (0.39) KDM4EUSP2POLBHPGDALOX15
SCHEMBL7656362 0.81 PSEN1 (0.41) KDM4EUSP2POLBHPGDALOX15
SCHEMBL7658123 0.80 LMNA (0.42) TSHRALDH1A1LMNAMMP1MMP2

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