SCHEMBL11423102

SCHEMBL11423102

Cc1ccc(C(=O)Nc2cccc3ccc(S(=O)(=O)O)c(O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 2/20 0.48
▸ CD40 P25942 2/20 0.43
▸ CD40LG P29965 2/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NFKBIA P25963 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SLC5A1 P13866 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41

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
SCHEMBL11424309 0.92 KCNMA1 (0.46) KCNMA1CD40CD40LGCRHBPCRHR2
SCHEMBL11425174 0.88 KCNMA1 (0.51) KCNMA1CD40CD40LGCRHBPCRHR2
SCHEMBL11423105 0.85 KCNMA1 (0.49) KCNMA1CD40CD40LGCRHBPCRHR2
SCHEMBL11424951 0.84 KCNMA1 (0.51) KCNMA1CD40CD40LGCRHBPCRHR2
SCHEMBL11437674 0.84 KCNMA1 (0.48) KCNMA1MEN1KMT2ATDP1NFKBIA
SCHEMBL11437902 0.84 KCNMA1 (0.51) KCNMA1CRHBPCRHR2MEN1KMT2A
SCHEMBL11428601 0.84 KDR (0.40) KCNMA1CD40CD40LGMEN1KMT2A
SCHEMBL11440900 0.84 KDR (0.43) KCNMA1CD40CD40LGMEN1KMT2A
SCHEMBL11433793 0.82 KCNMA1 (0.51) KCNMA1CRHBPCRHR2MEN1KMT2A
SCHEMBL11426050 0.82 KCNMA1 (0.56) KCNMA1CD40CD40LGMEN1KMT2A

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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