SCHEMBL13637126

SCHEMBL13637126

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCCCCC(=O)Nc3ccc4nc(N)sc4c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.41
▸ HDAC3 O15379 11/20 0.41
▸ HDAC1 Q13547 11/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL13662235 0.91 KCNH2 (0.40) JAK2HDAC3HDAC1KCNH2AURKA
SCHEMBL13662231 0.91 KCNH2 (0.40) JAK2HDAC3HDAC1KCNH2AURKA
SCHEMBL18638718 0.91 NPC1 (0.40) JAK2CYP1A2NPC1RAB9AMAPT
SCHEMBL13663816 0.85 LDHA (0.38) JAK2KCNH2NPC1RAB9AMAPT
SCHEMBL13663815 0.81 FTO (0.36) JAK2KCNH2NPC1RAB9AMAPT
SCHEMBL18266816 0.78 KCNH2 (0.44) JAK2KCNH2HDAC6ALDH1A1
SCHEMBL18116829 0.78 KCNH2 (0.44) JAK2KCNH2MAPTALDH1A1LMNA
SCHEMBL20353098 0.77 KCNH2 (0.44) JAK2HDAC3HDAC1KCNH2HDAC6
SCHEMBL25457426 0.77 KCNH2 (0.46) HDAC3HDAC1KCNH2HDAC6MAPT
SCHEMBL13662234 0.76 KCNH2 (0.43) KCNH2MAPTSMN1; SMN2ALDH1A1LMNA

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-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
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