SCHEMBL27899247

SCHEMBL27899247

CC1CC(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)=NO1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 14/20 0.67
▸ MAPT P10636 4/20 0.67
▸ GAA P10253 2/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ HPGD P15428 5/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 4/20 0.64
▸ HTT P42858 4/20 0.64
▸ NPSR1 Q6W5P4 4/20 0.64
▸ S1PR4 O95977 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ S1PR1 P21453 2/20 0.64
▸ RAB9A P51151 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ STAT1 P42224 1/20 0.62
▸ PAX8 Q06710 1/20 0.62
▸ SDHB P21912 5/20 0.61
▸ MAPK1 P28482 2/20 0.52

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
SCHEMBL1199975 0.79 KDM4E (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19805767 0.77 SDHB (0.74) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19806030 0.77 SDHB (0.86) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL29976120 0.76 SDHB (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19805710 0.76 SDHB (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19805808 0.74 SDHB (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19806037 0.74 SDHB (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19805798 0.72 SDHB (0.73) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL19805786 0.71 SDHB (1.00) TP53MAPTGAATDP1SMN1; SMN2
SCHEMBL21019805 0.70 SDHB (1.00) TP53MAPTGAASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102993193-A Use of nitrogen-3-isoxazolyl-3-4-thienyl-pyrimidyl sulfonyl propanamide derivative in preparing anti-tumor medicines UNIV SICHUAN 2013-03-27 — — CN claimed
CN-102993193-B Use of nitrogen-3-isoxazolyl-3-4-thienyl-pyrimidyl sulfonyl propanamide derivative in preparing anti-tumor medicines UNIV SICHUAN 2015-05-27 — — CN disclosed
CN-102993193-A Use of nitrogen-3-isoxazolyl-3-4-thienyl-pyrimidyl sulfonyl propanamide derivative in preparing anti-tumor medicines UNIV SICHUAN 2013-03-27 — — CN disclosed
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