SCHEMBL25068802

SCHEMBL25068802

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
AHR P35869 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK2 O96017 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALOX5 P09917 2/20 0.35
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL24039270 0.99 MAPT (0.39) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039678 0.99 MAPT (0.39) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL22987010 0.96 KMT2A (0.37) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039360 0.95 KMT2A (0.37) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039207 0.95 AHR (0.39) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039245 0.95 KMT2A (0.37) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039567 0.94 PLA2G2A (0.37) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL23437499 0.94 PLA2G2A (0.40) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL24039126 0.94 PLA2G2A (0.37) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL23437069 0.94 PLA2G2A (0.40) MAPTKMT2AKDM4EALDH1A1HPGD

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
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed