SCHEMBL10555290

SCHEMBL10555290

CC(CC(=O)O)C(C(=O)O)(c1ccc(Nc2ccccc2)nc1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GRM5 P41594 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ USP7 Q93009 1/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPK9 P45984 1/20 0.35

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
SCHEMBL10554712 0.77 MAPT (0.42) RAB9AGAAMAPTMAPK1
SCHEMBL10547817 0.76 MAPT (0.40) KDM4ESMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10549444 0.76 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2GAAMAPTKMT2A
SCHEMBL13439673 0.63 HCAR3 (0.51) RAB9AKDM4EGRM5HCAR3AURKA
SCHEMBL5651799 0.61 LIPE (0.69) RAB9AKDM4EHIF1AEPAS1LIPE
SCHEMBL18112755 0.61 OPRM1 (0.43) KDM4ESMN1; SMN2HPGDMEN1KMT2A
SCHEMBL28056230 0.60 HCAR3 (0.51) RAB9AKDM4EGRM5HCAR3AURKA
SCHEMBL17114620 0.60 NPC1 (0.63) RAB9AKDM4EHCAR3AURKALIPE
SCHEMBL17028079 0.60 ALDH1A1 (0.56) RAB9AKDM4EHIF1ASMN1; SMN2MAPT
SCHEMBL17403557 0.60 GSK3B (0.52) KDM4EHIF1AEPAS1MAPTMEN1

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-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
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