SCHEMBL3045920

SCHEMBL3045920

Cc1ccc(Nc2cccc(Nc3ccc(C)cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALPG P10696 1/20 0.64
HPGD P15428 2/20 0.54
TP53 P04637 3/20 0.50
NPC1 O15118 3/20 0.50
GBA1 P04062 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
DHFR P00374 2/20 0.49
KDM1A O60341 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL18162478 0.90 MAPT (0.60) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL18153292 0.86 EGFR (0.58) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL3759875 0.78 MAPT (1.00) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL904444 0.77 NPC1 (0.60) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL29408382 0.77 NPC1 (0.60) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL12431347 0.77 NCF1 (0.58) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL29110579 0.75 XPO1 (0.52) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL108881 0.74 HPGD (0.78) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL9516537 0.74 HPGD (0.78) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL50079 0.74 HPGD (0.78) MAPTMEN1KMT2ARAB9AKDM4E

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
JP-2010150166-A METHOD FOR PRODUCING AZACALIX [3] PYRIDINE COMPOUNDS TOSOH CORP 2010-07-08 JP disclosed