SCHEMBL9325748

SCHEMBL9325748

CCN(CCCCc1ccc([N+](=O)[O-])cc1)C(C)Cc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.49
▸ HTT P42858 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9324295 0.87 KCNH2 (0.49) KCNH2HTTKMT2AMEN1NPSR1
SCHEMBL9326409 0.83 SIGMAR1 (0.39) KMT2AALDH1A1TRPM8MAPT
SCHEMBL9327633 0.82 KCNH2 (0.50) KCNH2ALDH1A1MAPT
SCHEMBL10531208 0.75 KCNH2 (0.65) KCNH2ALDH1A1MAPT
SCHEMBL9327453 0.74 KCNH2 (0.55) KCNH2KMT2AMEN1THRBALDH1A1
Bromide SCHEMBL11237734 0.72 KCNH2 (0.56) KCNH2ALDH1A1MAPTLMNA
SCHEMBL11222756 0.72 KCNH2 (0.71) KCNH2THRBALDH1A1MAPT
Oxalic Acid SCHEMBL11228627 0.71 KCNH2 (0.59) KCNH2KMT2AMEN1THRBALDH1A1
SCHEMBL9325771 0.71 KCNH2 (0.50) KCNH2KMT2AMAPT
SCHEMBL5632454 0.71 KCNH2 (0.83) KCNH2MAPT

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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