SCHEMBL9738537

SCHEMBL9738537

O=C(Nc1ccccc1)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
KCNJ3 P48549 9/20 0.40
KCNJ6 P48051 8/20 0.40
KCNJ5 P48544 6/20 0.40
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC33A1 O00400 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
PTPN11 Q06124 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL9739920 0.91 RIPK1 (0.42) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1
SCHEMBL9738648 0.89 RIPK1 (0.42) RIPK1KCNJ3KCNJ6KCNJ5ALDH1A1
SCHEMBL9740299 0.89 RIPK1 (0.42) RIPK1KCNJ3KCNJ6KCNJ5ALDH1A1
SCHEMBL9738242 0.89 RIPK1 (0.40) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1
SCHEMBL9739551 0.89 RIPK1 (0.42) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1
SCHEMBL9552356 0.88 RIPK1 (0.37) RIPK1KCNJ3KCNJ6KCNJ5ALDH1A1
SCHEMBL9738150 0.87 RIPK1 (0.39) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1
SCHEMBL9552655 0.87 KCNJ6 (0.39) RIPK1KCNJ3KCNJ6KCNJ5ALDH1A1
SCHEMBL9553434 0.87 RIPK1 (0.37) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1
SCHEMBL9738441 0.86 RIPK1 (0.39) RIPK1KCNJ3KCNJ6KCNJ5SLC33A1

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