SCHEMBL28870971

SCHEMBL28870971

Brc1ccc2c(c1)CO2.Brc1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
NPC1 O15118 6/20 0.53
HSD17B10 Q99714 5/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 4/20 0.53
RAB9A P51151 4/20 0.53
P2RY14 Q15391 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 2/20 0.44
DUSP1 P28562 1/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL751653 0.85 KDM4E (0.68) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL29407133 0.85 KDM4E (0.68) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL376001 0.75 ALDH1A1 (0.64) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL19846155 0.74 KDM4E (0.57) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL28286336 0.74 SNCA (0.43) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL15497749 0.74 NPC1 (0.57) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL2478700 0.74 NPC1 (0.57) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL12076741 0.73 ALDH1A1 (0.62) MEN1KMT2ANPC1HSD17B10MAPT
SCHEMBL28286330 0.73 GRM5 (0.50) MEN1KMT2ANPC1MAPTKDM4E
SCHEMBL18875311 0.72 NPC1 (0.56) MEN1KMT2ANPC1HSD17B10MAPT

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-109689665-A Metal complex and electron transport material using the same 大电株式会社 2019-04-26 CN disclosed