SCHEMBL9324295

SCHEMBL9324295

CCCC(Cc1cccs1)N(CC)CCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.49
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9325748 0.87 KCNH2 (0.49) KCNH2HTTKMT2AMEN1NPSR1
SCHEMBL9324412 0.84 TRPM8 (0.35) KCNH2POLBTRPM8MAPTALDH1A1
SCHEMBL9325771 0.83 KCNH2 (0.50) KCNH2KMT2AMAPT
SCHEMBL9326474 0.80 LMNA (0.44) KCNH2HTTKMT2AMEN1NPSR1
SCHEMBL11231897 0.75 KCNH2 (0.52) KCNH2KMT2AMAPTALDH1A1
SCHEMBL9327633 0.71 KCNH2 (0.50) KCNH2MAPTALDH1A1
SCHEMBL10531208 0.71 KCNH2 (0.65) KCNH2MAPTALDH1A1
SCHEMBL9326409 0.70 SIGMAR1 (0.39) KMT2ATRPM8MAPTALDH1A1
SCHEMBL11222756 0.70 KCNH2 (0.71) KCNH2THRBMAPTALDH1A1
SCHEMBL11231455 0.69 KCNH2 (0.63) KCNH2MAPTALDH1A1

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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