SCHEMBL7214221

SCHEMBL7214221

Clc1cc2[nH]c(NC3CC3)nc2c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.46
▸ RHEB Q15382 3/20 0.43
▸ BRD4 O60885 1/20 0.39
▸ PIM1 P11309 5/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PTGES O14684 1/20 0.34
▸ KCNN1 Q92952 1/20 0.34
▸ KCNN2 Q9H2S1 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ CDC7 O00311 1/20 0.33
▸ DBF4 Q9UBU7 1/20 0.33

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
SCHEMBL7208898 0.87 PIM1 (0.45) RIPK1RHEBBRD4PIM1EGLN1
SCHEMBL7208984 0.78 RIPK1 (0.58) RIPK1RHEBEGLN1KCNN1KCNN2
SCHEMBL8369973 0.73 CYP1A2 (0.47) —
SCHEMBL7209326 0.73 RHEB (0.44) RHEBEGLN1
SCHEMBL7043130 0.70 RHEB (0.54) RHEBEGLN1
SCHEMBL11783950 0.70 ADRA2A (0.46) RHEB
SCHEMBL8369927 0.69 CYP1A2 (0.46) RIPK1
SCHEMBL29000492 0.68 GRIN2D (0.52) RHEBEGLN1
SCHEMBL7044417 0.67 RHEB (0.51) RHEBEGLN1
SCHEMBL8873016 0.67 RHEB (0.51) RHEBEGLN1

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-6617315-B1 Sugar-substituted benzimidazole derivatives are used for the treatment or prophylaxis of restenosis, particularly following angioplasty CHAMBERLAIN STANLEY DAWES (US) 2003-09-09 — — US disclosed
US-6204249-B1 L-benzimidazole nucleosides GLAXO WELLCOME INC. 2001-03-20 — — US disclosed
Send feedback