SCHEMBL29466367

SCHEMBL29466367

O=C(NC1C2CN(Oc3cccc(-c4nc5ccccc5[nH]4)n3)CC21)c1cccc(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MTOR P42345 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL25312272 0.84 LANCL2 (0.69) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29484641 0.83 LANCL2 (0.55) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25311481 0.81 LANCL2 (0.58) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25310879 0.79 LANCL2 (0.61) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25311732 0.78 LANCL2 (0.57) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29466263 0.78 LANCL2 (0.44) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25263046 0.77 LANCL2 (0.56) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29484631 0.76 LANCL2 (0.59) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25878688 0.76 LANCL2 (0.59) LANCL2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL25312882 0.76 LANCL2 (0.69) LANCL2SMN1; SMN2NPC1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195780-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed
CN-114195806-A Carbonyl heterocyclic compound and application thereof 上海医药集团股份有限公司 2022-03-18 CN disclosed