SCHEMBL9324472

SCHEMBL9324472

CCN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)Cc1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PKM P14618 1/20 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
SCHEMBL9325760 0.87 CA12 (0.46) CA1CA2ALDH1A1SIGMAR1
SCHEMBL9325729 0.84 CYP2C9 (0.45) ALDH1A1MAPTGAASIGMAR1LMNA
SCHEMBL9324328 0.81 TMEM97 (0.48) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL9327633 0.79 KCNH2 (0.50) ALDH1A1MAPTSIGMAR1
SCHEMBL9326379 0.78 KCNH2 (0.50) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL10683290 0.75 ALDH1A1 (0.65) CA1CA2MEN1KMT2ARAB9A
SCHEMBL9325692 0.74 HTR2A (0.36) CA1CA2MEN1KMT2ARAB9A
SCHEMBL1674065 0.73 SIGMAR1 (0.68) CA1CA2MEN1KMT2ARAB9A
SCHEMBL9327453 0.72 KCNH2 (0.55) MEN1KMT2AALDH1A1MAPTSIGMAR1
SCHEMBL7035347 0.70 TSHR (0.65) CA1CA2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310941-A Antiarrythmia agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-05-10 — — US disclosed
US-5208252-A Antiarrhythmia ORTHO PHARMACEUTICAL CORPORATION (US) 1993-05-04 — — US disclosed
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