SCHEMBL9744775

SCHEMBL9744775

O=C(CCNCCC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
MAPT P10636 3/20 0.62
MAPK1 P28482 3/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
CES1 P23141 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.61
LMNA P02545 2/20 0.61
NR4A2 P43354 1/20 0.61
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 3/20 0.58
GSK3B P49841 2/20 0.58

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
SCHEMBL3210555 0.90 THRA (0.60) TDP1MAPTMAPK1KMT2AKDM4E
Hydrochloric Acid SCHEMBL28760001 0.89 THRA (0.59) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL10659256 0.89 CA12 (0.71) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL27937324 0.88 MAPT (0.54) TDP1MAPTMAPK1KMT2AKDM4E
Hydrochloric Acid SCHEMBL5280503 0.87 CA12 (0.69) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL4761104 0.87 THRA (0.57) TDP1MAPTMAPK1KMT2AKDM4E
Hydrochloric Acid SCHEMBL27337480 0.86 MAPT (0.52) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL7441999 0.86 ALDH1A1 (0.62) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL7796598 0.86 CA12 (0.49) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL16404276 0.86 CA12 (0.49) TDP1MAPTMAPK1KMT2AKDM4E

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
EP-0205068-B1 LYSERGIC-ACID AMIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-01-02 EP claimed