SCHEMBL23315522

SCHEMBL23315522

CN(C)CCNC(=O)c1ccc(NC=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.48
▸ PDE7A Q13946 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL30074581 0.82 ALOX15 (0.48) ALOX15PDE7APOLBMAPK1ALDH1A1
SCHEMBL21531023 0.82 ALOX15 (0.48) ALOX15PDE7APOLBMAPK1ALDH1A1
SCHEMBL30074571 0.82 ALOX15 (0.48) ALOX15PDE7APOLBMAPK1ALDH1A1
SCHEMBL23315586 0.80 RAB9A (0.50) PDE7AALDH1A1NPC1RAB9AKDM4E
SCHEMBL30074614 0.79 ALOX15 (0.48) ALOX15POLBMAPK1ALDH1A1MAOB
SCHEMBL21531034 0.79 CYP1A2 (0.57) ALOX15POLBMAPK1ALDH1A1MAOB
SCHEMBL2992355 0.79 MAOB (0.49) ALOX15POLBMAPK1ALDH1A1MAOB
SCHEMBL23293634 0.79 ALOX15 (0.48) ALOX15POLBMAPK1ALDH1A1MAOB
SCHEMBL30074608 0.79 ALOX15 (0.48) ALOX15POLBMAPK1ALDH1A1MAOB
SCHEMBL4314837 0.78 NPC1 (0.41) ALDH1A1NPC1RAB9AKDM4ECYP1A2

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-3816156-A1 RADIOACTIVE COMPOUND FOR TREATMENT OF MELANOMA AND USE THEREOF Industry Foundation of Chonnam National University (KR) 2021-05-05 — — EP disclosed
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