SCHEMBL8445003

SCHEMBL8445003

NC(=O)c1ccc2c3c(ncnc13)-c1ccccc1C2=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
KDM4E B2RXH2 1/20 0.78
HSP90AA1 P07900 1/20 0.78
HSP90AB1 P08238 1/20 0.78
HPGD P15428 1/20 0.78
HTT P42858 1/20 0.78
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MAOA P21397 1/20 0.42
RPS6KB1 P23443 10/20 0.40
AURKA O14965 9/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL7142147 0.87 MAPT (1.00) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL30919368 0.87 MAPT (1.00) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL29356341 0.77 MAPT (0.63) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL16323481 0.77 MAPT (0.63) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL20869701 0.74 MAPT (0.60) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL7820954 0.74 KMT2A (0.71) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL14200890 0.73 MAPT (0.46) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL460367 0.69 MAOA (0.56) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL6464966 0.68 ATM (0.61) KDM4EKEAP1NFE2L2ALDH1A1GRK6
SCHEMBL8941899 0.65 MAPT (0.76) MAPTMEN1KMT2AKDM4EHPGD

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-5861398-A Benzoperimidine-carboxylic acids and derivatives thereof ALANEX CORPORATION (US) 1999-01-19 US disclosed
WO-1998008821-A1 BENZOPERIMIDINE-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF AGOURON ACQUISITION CORP. (US) 1998-03-05 WO disclosed