SCHEMBL9804583

SCHEMBL9804583

CN(C)c1ccc(C=C(Br)c2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
ALOX15 P16050 1/20 0.56
CASP1 P29466 1/20 0.56
HBB P68871 1/20 0.56
MPO P05164 1/20 0.50
CHRM5 P08912 1/20 0.48
CHKA P35790 1/20 0.48
PTGS1 P23219 3/20 0.47
PTGS2 P35354 2/20 0.47
ALDH1A1 P00352 6/20 0.45
NQO2 P16083 1/20 0.44
GFER P55789 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 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
SCHEMBL14964961 0.76 MAPT (0.73) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5698459 0.76 MPO (0.53) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5698449 0.76 MPO (0.53) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14964959 0.76 MAPT (0.73) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL10340836 0.76 NR1H2 (0.39) MAPTSMN1; SMN2NPC1CHRM5MAPK1
SCHEMBL10873620 0.74 MAPT (0.54) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL10873619 0.74 MAPT (0.54) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL31147159 0.74 ALDH1A1 (0.57) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL28470093 0.74 CYP19A1 (0.43) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL28465740 0.73 CYP19A1 (0.66) MAPTKMT2AMEN1RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290591-B1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK PATENT GmbH (DE) 1991-03-13 EP disclosed
EP-0290591-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. MERCK PATENT GMBH (DE) 1988-11-17 EP disclosed
WO-1988004305-A1 MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-06-16 WO disclosed