SCHEMBL5814002

SCHEMBL5814002

BrNCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAOB P27338 2/20 0.47
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
HTR2A P28223 4/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT1 Q99873 1/20 0.41

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
SCHEMBL2770965 0.81 KDM4E (0.55) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL2770961 0.81 KDM4E (0.55) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL4073166 0.79 MAOB (0.58) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL18025762 0.79 MAOB (0.58) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL2189821 0.77 KDM4E (0.52) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL17066108 0.77 KDM4E (0.52) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL6114073 0.77 KDM4E (0.52) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL11445050 0.77 IDO1 (0.52) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL11597360 0.77 PRMT1 (0.55) KDM4EMAOBIDO1PAMHTR2A
SCHEMBL14275030 0.77 KDM4E (0.52) KDM4EMAOBIDO1PAMHTR2A

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
WO-2006047167-A2 9 ALKYL AND 9 ALKYLIDENYL 6-0 ALKYL-11, 12 CARBAMATE KETOLIDE ANTIMICROBIALS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-04 WO disclosed