SCHEMBL11389453

SCHEMBL11389453

CN(C)CCC[S+]([O-])c1c2ccccc2nn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GUCY1B2 O75343 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ DRD1 P21728 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ GUCY1A2 P33402 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ GUCY1A1 Q02108 1/20 0.47
▸ GUCY1B1 Q02153 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
Dazidamine SCHEMBL286621 0.73 KDM4E (0.49) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
SCHEMBL1170095 0.65 SCN8A (0.50) CYP1A2KDM4ESCN8AKMT2APTGER4
SCHEMBL1170105 0.65 CYP1A2 (0.50) CYP1A2CYP2D6SCN8AKMT2APTGER4
Benzydamine SCHEMBL29376229 0.64 HRH3 (1.00) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
Benzydamine SCHEMBL26172 0.64 HRH3 (1.00) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
SCHEMBL25247023 0.64 SCN8A (0.49) CYP1A2KDM4ESCN8APTGER4L3MBTL1
Benzydamine SCHEMBL8078518 0.63 HRH3 (0.97) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
SCHEMBL8018576 0.63 KDM4E (0.93) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
Benzydamine SCHEMBL42644 0.63 POLB (1.00) CYP1A2ADRA1AHRH3KDM4EGUCY1B2
Benzydamine SCHEMBL42645 0.63 POLB (1.00) CYP1A2ADRA1AHRH3KDM4EGUCY1B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4264618-A Basic thio-indazoles AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 1981-04-28 — — US disclosed
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