SCHEMBL9740797

SCHEMBL9740797

Nc1c(Br)cc(COc2ccc3[c]c[nH]c3c2)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.33
MAOA P21397 3/20 0.33
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
IMPDH2 P12268 1/20 0.32
RHEB Q15382 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
NSD2 O96028 1/20 0.30
AS3MT Q9HBK9 1/20 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
SCHEMBL4602254 0.79 ALOX5 (0.50) MAOBMAOAIMPDH2KDM4EMAPT
SCHEMBL9739267 0.79 MAPT (0.33) MAPT
SCHEMBL9740914 0.75 TUBB1 (0.56) MAOBKDM4E
SCHEMBL9740778 0.75 ALOX5 (0.36) MAOBMAOARHEBCA12CA1
SCHEMBL9741209 0.74 MAOB (0.36) MAOBMAOAHTR1AHTR1DHTR1B
SCHEMBL6345184 0.72 HPGD (0.47) KDM4EMAPTLTA4H
SCHEMBL6015874 0.70 MAOA (0.41) MAOACA12CA1CA9
SCHEMBL4599898 0.68 ALOX5 (0.50) MAOBMAOAHTR1DIMPDH2KDM4E
SCHEMBL6016024 0.68 MAOA (0.36) MAOAHTR1AHTR1DHTR1BKDM4E
SCHEMBL1968319 0.67 MEN1 (0.47) KDM4EMAPTCA12CA1CA2

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed