SCHEMBL7685364

SCHEMBL7685364

O=C(NOC1CCCCO1)C1CN(S(=O)(=O)CCc2ccncc2)CCN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MMP8 P22894 3/20 0.33
MMP3 P08254 1/20 0.33
TSHR P16473 1/20 0.32
KCNQ1 P51787 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MMP13 P45452 3/20 0.31
MMP12 P39900 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TRPA1 O75762 1/20 0.30
KMT2A Q03164 1/20 0.30
FKBP1A P62942 1/20 0.30

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
SCHEMBL7345782 1.00 SMN1; SMN2 (0.33) SMN1; SMN2MMP8MMP3TSHRKCNQ1
SCHEMBL7060241 0.93 MMP8 (0.36) MMP8MMP3MMP13MMP12ALDH1A1
SCHEMBL7055859 0.89 MMP13 (0.39) SMN1; SMN2TSHRKCNQ1HCRTR1HCRTR2
SCHEMBL7056949 0.88 SMN1; SMN2 (0.35) SMN1; SMN2MMP8KCNQ1HCRTR1HCRTR2
SCHEMBL7060386 0.86 SMN1; SMN2 (0.35) SMN1; SMN2TSHRKCNQ1HCRTR1HCRTR2
SCHEMBL7061603 0.85 MMP13 (0.38) SMN1; SMN2MMP8MMP3KCNQ1HCRTR1
SCHEMBL7352706 0.85 MMP13 (0.34) SMN1; SMN2MMP8MMP3TSHRKCNQ1
SCHEMBL7055448 0.85 HTR2B (0.32) SMN1; SMN2MMP13
SCHEMBL7346070 0.84 MMP8 (0.46) MMP8MMP3MMP13MMP12
SCHEMBL7053257 0.84 SMN1; SMN2 (0.37) SMN1; SMN2MMP8KCNQ1HCRTR1HCRTR2

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-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed