SCHEMBL11545003

SCHEMBL11545003

NC(=O)c1cnn(CCc2ccc(Br)cc2)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATG4B Q9Y4P1 1/20 0.34
KCNJ1 P48048 2/20 0.33
KCNH2 Q12809 2/20 0.33
COPS5 Q92905 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL11544982 0.89 TSHR (0.40) TSHRNPC1RAB9AKCNJ1KCNH2
SCHEMBL11544871 0.79 PARP1 (0.39) TSHRMAPTNPC1RAB9APKM
SCHEMBL11545754 0.74 TSHR (0.35) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11545798 0.74 SIRT2 (0.38) KDM4EALDH1A1MAPK1MEN1CYP1A2
SCHEMBL11545682 0.73 TSHR (0.36) TSHRMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11473861 0.73 ADORA3 (0.39) MAPTNPC1RAB9ACRHBPHTT
SCHEMBL11545925 0.73 PAX8 (0.44) TSHRMAPTNPC1KDM4EALDH1A1
SCHEMBL5202849 0.71 MAPT (0.41) MAPTPKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL11544998 0.71 ALOX5 (0.36) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL11549665 0.70 MEN1 (0.43) TSHRMAPTNPC1RAB9AKDM4E

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-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed