SCHEMBL10576002

SCHEMBL10576002

COc1ccc(-c2nc3ccc(C(C)(C)CNC=O)cc3[nH]2)c(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.36
▸ F9 P00740 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ AMY1A P0DUB6 3/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ F2 P00734 2/20 0.34
▸ F10 P00742 2/20 0.34
▸ PLG P00747 2/20 0.34
▸ PLAU P00749 2/20 0.34
▸ PLAT P00750 2/20 0.34
▸ PRSS1 P07477 2/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ METAP2 P50579 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
SCHEMBL10575981 0.92 AMY1A (0.31) HDAC6F9F11F7AMY1A
SCHEMBL10578009 0.87 THRB (0.36) HDAC6AMY1AF2F10PLG
SCHEMBL10578367 0.82 AMY1A (0.36) HDAC6AMY1ATRPV1TP53HRH4
SCHEMBL10574094 0.82 DGAT1 (0.44) HDAC6TRPV1DGAT1KCNH2MAPT
SCHEMBL10580112 0.81 PDE5A (0.47) HDAC6AMY1AF2F10PLG
SCHEMBL10574102 0.81 AMY1A (0.50) AMY1AHRH4
SCHEMBL10577231 0.80 AMY1A (0.55) HDAC6AMY1ATRPV1DGAT1KCNH2
SCHEMBL10579371 0.80 CDK4 (0.44) AMY1ASCD
SCHEMBL10578002 0.79 AMY1A (0.32) HDAC6AMY1A
SCHEMBL10574279 0.79 SLC2A1 (0.55) TRPV1LMNATP53MAPT

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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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