SCHEMBL11430473

SCHEMBL11430473

CC(=O)Oc1cc(S(=O)(=O)O)c2ccccc2c1NC(=O)c1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KCNMA1 Q12791 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ PKM P14618 3/20 0.38
▸ MITF O75030 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MLNR O43193 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL11422158 0.93 KMT2A (0.44) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11428526 0.86 KDM4E (0.38) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11430336 0.85 KCNMA1 (0.48) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11430469 0.85 MEN1 (0.48) KMT2AALDH1A1KDM4EMAPTHTT
Acetic Acid SCHEMBL11430476 0.85 ALDH1A1 (0.46) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11422156 0.83 SMN1; SMN2 (0.49) KMT2AALDH1A1HPGDMAPTHTT
SCHEMBL11425022 0.82 KDM4E (0.36) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11422042 0.81 KCNMA1 (0.48) KMT2AALDH1A1KCNMA1HPGDKDM4E
SCHEMBL11424194 0.81 CD40 (0.52) KMT2AALDH1A1KDM4EMAPTHTT
SCHEMBL11433711 0.80 KCNMA1 (0.44) KMT2AALDH1A1KCNMA1HPGDKDM4E

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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