SCHEMBL9796138

SCHEMBL9796138

NS(=O)(=O)c1nnc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ DAPK3 O43293 1/20 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
SCHEMBL26964538 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL558515 0.70 KDM4E (0.55) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL9517782 0.69 KDM4E (0.47) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL9525882 0.69 TGFBR1 (0.46) KDM4EALDH1A1HSD17B10HPGDNPC1
Bromide SCHEMBL1186616 0.68 KDM4E (0.53) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL11490669 0.67 KDM4E (0.57) KDM4EALDH1A1HSD17B10KMT2ALMNA
SCHEMBL9796329 0.67 CA1 (0.43) ALDH1A1KMT2AGAAPTGS1PTGS2
SCHEMBL25261995 0.67 KMT2A (0.51) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL9517202 0.67 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10KMT2AHPGD
SCHEMBL20674623 0.67 LDHA (0.36) KDM4EALDH1A1HSD17B10KMT2ALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990523-A Treatment of chronic inflammatory joint disease with arylsulfonamides A. H. ROBINS COMPANY, INCORPORATED (US) 1991-02-05 — — US disclosed
WO-1990015600-A2 TREATMENT OF CHRONIC INFLAMMATORY JOINT DISEASE WITH ARYLSULFONAMIDES A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-27 — — WO disclosed
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