SCHEMBL8689155

SCHEMBL8689155

Cc1ccc(-c2c(Br)cnn2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
HSD11B1 P28845 1/20 0.39
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.38
NPY5R Q15761 1/20 0.38
CYP1A2 P05177 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL8689118 0.87 PTGS1 (0.49) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL8689434 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8689251 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1MEN1
SCHEMBL8691849 0.80 PTGS2 (0.49) ALDH1A1KDM4EHPGDHSD17B10CA2
SCHEMBL8688508 0.74 PTGS1 (0.49) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL8688576 0.74 PTGS1 (0.49) ALDH1A1HPGDHSD17B10CA2CA1
SCHEMBL6512919 0.74 CA12 (0.39) ALDH1A1KDM4EMEN1KMT2ACA12
SCHEMBL8639252 0.74 LMNA (0.48) ALDH1A1KDM4EMEN1KMT2AHSD11B1
SCHEMBL8691625 0.72 LMNA (0.53) ALDH1A1KDM4EHSD11B1POLBGAA
SCHEMBL8693263 0.72 NPSR1 (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A

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
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US claimed
US-5760068-A NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G.D. SEARLE & CO. (US) 1998-06-02 US disclosed
US-5756529-A ANTIINFLAMMATORY G.D. SEARLE & CO. (US) 1998-05-26 US disclosed