SCHEMBL29848469

SCHEMBL29848469

c1ccc2c(c1)[nH]c1c2c2ccncc2c2sc3ccccc3c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
NR3C1 P04150 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL24767865 1.00 MEN1 (0.51) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL15138822 0.86 MEN1 (0.62) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL19988697 0.84 GABRA1 (0.51) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL19988479 0.84 MEN1 (0.53) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL18688094 0.80 MEN1 (0.58) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL16867158 0.80 MEN1 (0.66) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL29343607 0.80 MEN1 (0.66) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL15138782 0.78 MEN1 (0.69) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL30887363 0.78 MEN1 (0.69) MEN1MAPTRAB9AKMT2AKDM4E
SCHEMBL29506382 0.78 MEN1 (0.69) MEN1MAPTRAB9AKMT2AKDM4E

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
CN-114907363-A Organic compound and organic electroluminescent device 机光科技股份有限公司 2022-08-16 CN disclosed