SCHEMBL20832177

SCHEMBL20832177

O=c1[nH]ncc(N2CCN(Cc3cccc4ccccc34)[S+]([O-])C2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ TRPC5 Q9UL62 10/20 0.50
▸ KCNH2 Q12809 1/20 0.46
▸ TRPC4 Q9UBN4 1/20 0.46
▸ TIPARP Q7Z3E1 2/20 0.45
▸ POLB P06746 4/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ GPR84 Q9NQS5 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
SCHEMBL20831879 0.84 ALDH1A1 (0.69) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831880 0.79 TRPC5 (0.79) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831898 0.78 TRPC5 (0.58) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831901 0.78 ALDH1A1 (0.52) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831868 0.74 TRPC5 (0.60) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831869 0.74 ALDH1A1 (0.66) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831650 0.72 TRPC5 (0.49) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL25688410 0.72 TRPC5 (0.49) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831874 0.71 ALDH1A1 (0.65) ALDH1A1TRPC5KCNH2TRPC4TIPARP
SCHEMBL20831875 0.71 ALDH1A1 (0.65) ALDH1A1TRPC5KCNH2TRPC4TIPARP

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
WO-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 — — WO disclosed
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