SCHEMBL13400661

SCHEMBL13400661

Oc1ccc(-c2nc3cc(Cc4ccc5[nH]c(-c6ccc(O)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.56
▸ SLC2A1 P11166 1/20 0.52
▸ GUSB P08236 2/20 0.49
▸ DGAT1 O75907 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PAK4 O96013 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ LTK P29376 1/20 0.49
▸ MAP2K2 P36507 1/20 0.49
▸ MAPK8 P45983 1/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ PRKX P51817 1/20 0.49
▸ NEK2 P51955 1/20 0.49
▸ LIMK1 P53667 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ PRKCQ Q04759 1/20 0.49
▸ MAP4K2 Q12851 1/20 0.49

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
SCHEMBL415254 0.85 CHEK1 (0.55) GUSBDGAT1KCNH2CHEK1PRKD3
SCHEMBL5579984 0.85 CHEK1 (0.59) GUSBDGAT1KCNH2CHEK1PRKD3
SCHEMBL16273449 0.84 NT5E (0.78) NT5ESLC2A1RPS6KA3NPBWR1CHEK2
SCHEMBL29386878 0.84 NT5E (0.78) NT5ESLC2A1RPS6KA3NPBWR1CHEK2
SCHEMBL21887627 0.80 NT5E (0.89) NT5ESLC2A1NPBWR1CHEK2GAA
SCHEMBL31289511 0.79 MEN1 (0.63) NT5EGUSBDGAT1KCNH2CHEK1
SCHEMBL27236921 0.79 MMP2 (0.55) GUSBDGAT1KCNH2CHEK1PRKD3
SCHEMBL7394693 0.79 KDM4E (0.54) GUSBDGAT1KCNH2CHEK1PRKD3
SCHEMBL7388566 0.79 GUSB (0.57) GUSBDGAT1KCNH2CHEK1PRKD3
SCHEMBL27873811 0.79 MEN1 (0.63) NT5EGUSBDGAT1KCNH2CHEK1

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-7696298-B2 Poly(arylenebenzimidazole) polymers and copolymers HAY ALLAN S 2010-04-13 — — US disclosed
US-20090131623-A1 Poly(arylenebenzimidazole) polymers and copolymers HAY ALLAN S 2009-05-21 — — US disclosed
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