SCHEMBL29957486

SCHEMBL29957486

c1ccc2nc3c(ccc4occc43)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
NQO2 P16083 6/20 0.38
KDM4E B2RXH2 2/20 0.38
BLM P54132 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
FTO Q9C0B1 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL31391239 0.75 MYC (0.63) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL7532714 0.75 ALDH1A1 (0.47) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL29588824 0.73 MAPK10 (0.42) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL4495841 0.73 MAPK10 (0.42) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL4654883 0.72 MAPT (0.69) MAPTALDH1A1RAB9AKMT2AGAA
Benzo[A]Phenazine SCHEMBL88133 0.70 ALDH1A1 (0.55) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL420462 0.70 ALDH1A1 (0.55) MAPTALDH1A1GAAKDM4EL3MBTL1
SCHEMBL30716378 0.70 ALDH1A1 (0.55) MAPTALDH1A1GAAKDM4EL3MBTL1
Benzo[A]Phenazine SCHEMBL29618896 0.70 ALDH1A1 (0.55) MAPTALDH1A1RAB9AKMT2AGAA
SCHEMBL2245348 0.69 HTR2C (0.37) MAPTALDH1A1KMT2AKDM4EMAOA

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-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed