SCHEMBL9326502

SCHEMBL9326502

CC(Cc1ccsc1)NCCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.48
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL19505485 0.79 SIGMAR1 (0.71) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL22431584 0.78 SIGMAR1 (0.54) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9327633 0.76 KCNH2 (0.50) SIGMAR1ALDH1A1KCNH2
SCHEMBL19498802 0.76 SIGMAR1 (0.69) SIGMAR1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL22431515 0.76 SIGMAR1 (0.69) SIGMAR1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL9327453 0.76 KCNH2 (0.55) SIGMAR1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL22431451 0.75 SIGMAR1 (0.48) SIGMAR1ALDH1A1
SCHEMBL9383002 0.75 TSHR (0.53) SIGMAR1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL9383251 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AKCNH2
SCHEMBL19505660 0.74 SIGMAR1 (0.69) SIGMAR1MEN1KMT2A

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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