SCHEMBL8938873

SCHEMBL8938873

Brc1ccc(Nc2[c]cccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 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
SCHEMBL72023 0.83 HSD17B10 (0.50) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL8718097 0.80 GAA (0.44) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL3932390 0.80 NPC1 (0.41) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6418064 0.80 HPGD (0.54) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8727089 0.80 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8722503 0.76 NFKB1 (0.42) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6440705 0.76 RAB9A (0.55) MEN1KMT2AEPAS1ALDH1A1MAPT
SCHEMBL8722523 0.76 TSHR (0.40) ALDH1A1MAPK1TDP1HSD17B10ALOX15
SCHEMBL8721660 0.76 ABCG2 (0.43) ALDH1A1MAOAMAOBMAPTTSHR
SCHEMBL16568339 0.75 MAOA (0.64) MEN1KMT2AMAOAMAOBMAPT

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-5543298-A ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY OXIS INTERNATIONAL S.A. (FR) 1996-08-06 US disclosed