SCHEMBL9327453

SCHEMBL9327453

CCCCCN(CCCCc1ccc([N+](=O)[O-])cc1)C(C)Cc1ccsc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.55
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNJ1 P48048 2/20 0.35
▸ TSHR P16473 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
SCHEMBL9327633 0.93 KCNH2 (0.50) KCNH2MAPTALDH1A1SIGMAR1KCNJ1
SCHEMBL9325771 0.83 KCNH2 (0.50) KCNH2MAPTKMT2ADRD2DRD3
SCHEMBL9325455 0.83 HTR2A (0.39) KCNH2MAPTMEN1KMT2AALDH1A1
SCHEMBL11222756 0.79 KCNH2 (0.71) KCNH2MAPTALDH1A1THRATHRB
SCHEMBL10531084 0.78 KCNH2 (0.63) KCNH2MAPTALDH1A1THRATHRB
SCHEMBL9325778 0.77 KCNH2 (0.67) KCNH2DRD2DRD3
SCHEMBL9326502 0.76 SIGMAR1 (0.48) KCNH2MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL9324433 0.75 SIGMAR1 (0.39) KCNH2MAPTDRD2DRD3SIGMAR1
SCHEMBL10531208 0.75 KCNH2 (0.65) KCNH2MAPTALDH1A1KCNJ1TSHR
SCHEMBL9325748 0.74 KCNH2 (0.49) KCNH2MAPTMEN1KMT2AALDH1A1

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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