SCHEMBL10487108

SCHEMBL10487108

NNc1ccc(C(=O)OC(=O)c2ccc(N)cn2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.39
▸ P4HTM Q9NXG6 8/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32

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
SCHEMBL10487101 0.84 P4HTM (0.50) MAPK1P4HTMKDM4EL3MBTL1KMT2A
SCHEMBL29260502 0.80 MAPK1 (0.61) MAPK1P4HTMMAPTRAB9AKDM4E
SCHEMBL31359497 0.76 MAPK1 (0.65) MAPK1MAPTKDM4EL3MBTL1LMNA
SCHEMBL721291 0.76 MAPK1 (0.65) MAPK1MAPTKDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL14125808 0.75 MAPK1 (0.62) MAPK1MAPTKDM4EL3MBTL1LMNA
SCHEMBL9621696 0.74 P4HTM (0.57) MAPK1P4HTMKDM4EL3MBTL1
SCHEMBL4251561 0.74 NAMPT (0.50) P4HTMNAMPTKMT2A
SCHEMBL3235643 0.72 MAPK1 (0.46) MAPK1KDM4EL3MBTL1PTGS1LMNA
SCHEMBL22242767 0.71 LMNA (0.58) P4HTMMAPTRAB9AKDM4EPTGS1
SCHEMBL27212642 0.71 P2RX7 (0.52) MAPTRAB9AKDM4EL3MBTL1PTGS1

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-4839371-A HYPOTENSIVE AGENTS, DIURETICS, VASODILATORS SMITHKLINE BECKMAN CORPORATION (US) 1989-06-13 — — US disclosed
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