SCHEMBL9246309

SCHEMBL9246309

COC(=O)CCNC(=O)c1ccc(NCCCCc2ccccc2)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC6 Q9UBN7 3/20 0.50
RAB9A P51151 2/20 0.49
PTGER4 P35408 2/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
MLYCD O95822 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL9252446 0.86 MAPT (0.67) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9251955 0.85 MAPT (0.66) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9246073 0.84 NPC1 (0.58) ALDH1A1MAPTGAARAB9ANPC1
Acetic Acid SCHEMBL9251660 0.83 MAPT (0.57) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9246132 0.81 LMNA (0.48) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9252717 0.78 GAA (0.67) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9251859 0.78 PRKCI (0.54) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9255324 0.78 ALDH1A1 (0.53) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL9335711 0.76 BRD4 (0.53) KDM4EMAPTHDAC6RAB9AHDAC1
Hydrochloric Acid SCHEMBL9256210 0.75 MAPT (0.51) KDM4EALDH1A1MAPTGAAHSD17B10

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed