SCHEMBL9738441

SCHEMBL9738441

CCCCNC(=O)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
SLC33A1 O00400 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.35
AGTR1 P30556 4/20 0.35
AGTR2 P50052 1/20 0.35
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34
MME P08473 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
SCHEMBL9738150 0.95 RIPK1 (0.39) RIPK1SLC33A1AGTR1AGTR2KCNJ6
SCHEMBL9739551 0.92 RIPK1 (0.42) RIPK1SLC33A1AGTR1AGTR2KCNJ6
SCHEMBL9739920 0.90 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9553447 0.88 SLC33A1 (0.39) RIPK1SLC33A1AGTR1AGTR2
SCHEMBL9740299 0.88 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738648 0.88 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738242 0.88 RIPK1 (0.40) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9552902 0.87 SLC33A1 (0.40) RIPK1SLC33A1AGTR1AGTR2KCNJ6
SCHEMBL9552858 0.86 SLC33A1 (0.39) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3
SCHEMBL9738537 0.86 RIPK1 (0.42) RIPK1SLC33A1KCNJ6KCNJ5KCNJ3

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
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed