SCHEMBL20547309

SCHEMBL20547309

NC1(CCc2ccc(Br)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
RCOR1 Q9UKL0 1/20 0.39
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 1/20 0.37
PARP1 P09874 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30
TAAR1 Q96RJ0 2/20 0.30

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
SCHEMBL1128476 0.76 TAAR1 (0.52) MAOBSLC6A2SLC6A3TAAR1
SCHEMBL2470972 0.74 TAAR1 (0.50) KDM1ARCOR1MAOAMAOBTAAR1
SCHEMBL2298160 0.72 TDP1 (0.39) KDM1ARCOR1KCNH2KDM1BPARP1
SCHEMBL29331986 0.72 IGF1R (0.40) KDM1AKCNH2KDM1BPARP1
SCHEMBL29410058 0.72 TDP1 (0.39) KDM1ARCOR1KCNH2KDM1BPARP1
SCHEMBL14555727 0.72 IGF1R (0.40) KDM1AKCNH2KDM1BPARP1
SCHEMBL8619701 0.71 CNR1 (0.44) KDM1ARCOR1KCNH2KDM1B
SCHEMBL8084327 0.71 KDM1A (0.35) KDM1ARCOR1KCNH2KDM1BPARP1
SCHEMBL2302020 0.71 KDM4E (0.47) KDM1AKCNH2KDM1BPARP1
SCHEMBL29410056 0.71 KDM4E (0.47) KDM1AKCNH2KDM1BPARP1

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-2018197583-A1 USE OF A COMBINATIONAL THERAPY OF LSD1 INHIBITORS WITH P21 ACTIVATORS IN THE TREATMENT OF CANCER ISTITUTO EUROPEO DI ONCOLOGIA (IT) 2018-11-01 WO disclosed