SCHEMBL438758

SCHEMBL438758

Cc1cc(N)c2cc(Br)cc(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
NR4A2 P43354 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2A Q12879 3/20 0.43
BCHE P06276 2/20 0.43
NCF1 P14598 1/20 0.42
RAB9A P51151 1/20 0.41
PRNP P04156 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL442077 0.85 NR4A2 (0.45) EGFRNR4A2L3MBTL1ACHEGRIN1
SCHEMBL442131 0.85 NR4A2 (0.45) EGFRNR4A2L3MBTL1NCF1RAB9A
SCHEMBL439824 0.76 NR4A2 (0.65) NR4A2L3MBTL1NCF1RAB9AKDM4E
SCHEMBL438193 0.73 NR4A2 (0.51) NR4A2L3MBTL1NCF1KDM4ETDP1
SCHEMBL440270 0.70 NR4A2 (0.62) NR4A2L3MBTL1NCF1NPSR1KDM4E
SCHEMBL437502 0.70 NCF1 (0.59) NR4A2NCF1KDM4ETDP1HTT
SCHEMBL436731 0.69 KDM4E (0.56) NR4A2NCF1RAB9AKDM4ETDP1
SCHEMBL5264894 0.68 PRNP (0.62) EGFRACHEGRIN1GRIN2ABCHE
SCHEMBL436969 0.68 NR4A2 (0.46) NR4A2NCF1RAB9AKDM4ETDP1
SCHEMBL7186476 0.67 NPSR1 (0.52) EGFRL3MBTL1RAB9APRNPNPSR1

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed