SCHEMBL13422239

SCHEMBL13422239

C=C1CC1c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.43
KCNH2 Q12809 2/20 0.43
MAOB P27338 2/20 0.43
RCOR1 Q9UKL0 2/20 0.43
KDM1B Q8NB78 1/20 0.43
CYP2A6 P11509 1/20 0.40
LMNA P02545 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
HTR2A P28223 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3452689 0.74 TSHR (0.42) KDM1AKCNH2MAOBRCOR1CYP2A6
SCHEMBL13382520 0.73 BRD4 (0.44) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL15923297 0.72 LMNA (0.55) LMNABRD4MAPTSMN1; SMN2
SCHEMBL14804298 0.67 HTR2A (0.54) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL20267090 0.65 MEN1 (0.39) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL14804315 0.65 KDM1A (0.48) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL265495 0.65 KDM1A (0.48) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL883113 0.65 KDM1A (0.68) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL12295868 0.65 KDM1A (0.68) KDM1AKCNH2MAOBRCOR1KDM1B
SCHEMBL5612 0.63 BRD4 (0.53) KDM1AKCNH2MAOBRCOR1KDM1B

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-2010043721-A1 OXIDASE INHIBITORS AND THEIR USE ORYZON GENOMICS, S.A. (ES) 2010-04-22 WO disclosed