SCHEMBL28011998

SCHEMBL28011998

Fc1ccc(C2(CCBr)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL121397 0.85 EGFR (0.41) EGFRMAOBMAOASLC6A3MEN1
SCHEMBL28011963 0.81 MAOA (0.36) MAOBMAOASLC6A3LMNASLC6A4
SCHEMBL7557937 0.81 EGFR (0.36) EGFRMAOBMAOASLC6A3MEN1
SCHEMBL11248214 0.81 SLC6A3 (0.34) EGFRMAOBMAOASLC6A3MEN1
SCHEMBL7390254 0.81 L3MBTL1 (0.45) MAOBMAOAMEN1KMT2ASMN1; SMN2
Phosphine SCHEMBL9482786 0.79 L3MBTL1 (0.44) MAOBMAOAMEN1KMT2ASMN1; SMN2
SCHEMBL9531677 0.79 MAPK1 (0.38) SLC6A3SMN1; SMN2SLC6A4CHRNA1CHRNG
SCHEMBL13242104 0.79 SLC6A4 (0.36) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL4053345 0.79 EGFR (0.32) EGFRMAOBMAOASLC6A3MEN1
SCHEMBL11233227 0.79 SLC6A3 (0.39) EGFRMAOBMAOASLC6A3

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
CN-102480956-B Pyrido [4,3-b] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2015-04-08 CN disclosed