SCHEMBL28772690

SCHEMBL28772690

NCc1ccc(-n2ncc3c(Br)cccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 12/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27837486 0.84 CYP1A2 (0.39) CCR1CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL4126308 0.81 MAPT (0.50) CYP17A1CYP1A2CYP11B1CYP11B2NPC1
SCHEMBL441028 0.81 CYP1A2 (0.54) CCR1CYP17A1CYP1A2
SCHEMBL4112054 0.76 SCN9A (0.41) CCR1CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL441916 0.75 CCR1 (0.46) CCR1CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL17238733 0.74 CYP11B2 (0.48) CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL19099014 0.73 NOS1 (0.37) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL17582162 0.73 NPC1 (0.50) CYP17A1CYP1A2NPC1LMNARAB9A
SCHEMBL2003613 0.69 MAPK14 (0.44) CCR1
SCHEMBL27745777 0.69 GRM2 (0.37) NPC1RAB9A

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
CN-101291914-A Novel bicyclic sulfonamides for use as glucocorticoid receptor modulators in the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2008-10-22 — — CN disclosed
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