SCHEMBL22989250

SCHEMBL22989250

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4cc(-n5c6ccc7cccc8sc9cccc%10ccc5c(c%109)c6c78)ccc4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.38
MAPK9 P45984 8/20 0.38
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAPK8 P45983 2/20 0.33
CYP17A1 P05093 1/20 0.33
RPA1 P27694 1/20 0.33
MAPT P10636 2/20 0.33
PMM2 O15305 1/20 0.32
MPI P34949 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32

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
SCHEMBL22989247 0.99 MAPK10 (0.36) MAPK10MAPK9MEN1ALDH1A1KMT2A
SCHEMBL22988979 0.98 MAPK10 (0.35) MAPK10MAPK9MEN1ALDH1A1KMT2A
SCHEMBL22989246 0.95 CYP11B1 (0.36) MAPK10MAPK9MEN1ALDH1A1KMT2A
SCHEMBL22989255 0.91 RPA1 (0.33) MAPK10MAPK9MEN1ALDH1A1KMT2A
SCHEMBL22989256 0.91 SMN1; SMN2 (0.38) MAPK10MAPK9MEN1ALDH1A1KMT2A
SCHEMBL22988983 0.90 PDE1B (0.34) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL22989228 0.90 S1PR5 (0.32) MAPK10MAPK9PMM2MPIPHOSPHO1
SCHEMBL22989253 0.87 KDM4E (0.31) KDM4E
SCHEMBL22989251 0.86 S1PR5 (0.31)
SCHEMBL22989193 0.86 HPGD (0.36) MAPK10MAPK9MEN1KMT2AKDM4E

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
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed