SCHEMBL28286336

SCHEMBL28286336

Brc1ccc2c(c1)CO2.Brc1cccc(-c2cccc(Br)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.43
IDO1 P14902 2/20 0.42
METAP2 P50579 1/20 0.42
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
GRM5 P41594 1/20 0.36
NPC1 O15118 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 1/20 0.36
DCUN1D1 Q96GG9 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MPI P34949 1/20 0.35

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
SCHEMBL28286330 0.83 GRM5 (0.50) SNCAIDO1METAP2RAB9AALDH1A1
SCHEMBL30835005 0.81 IDO1 (0.55) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL19831019 0.81 IDO1 (0.55) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL28870971 0.74 MEN1 (0.53) RAB9AALDH1A1MAPTHPGDNPC1
SCHEMBL17460455 0.72 RAB9A (0.58) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL29473316 0.72 RAB9A (0.58) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL16675045 0.69 RAB9A (0.44) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL20481867 0.66 MEN1 (0.52) RAB9ANPC1MEN1KMT2A
SCHEMBL3768 0.65 MEN1 (0.68) IDO1METAP2RAB9AALDH1A1MAPT
SCHEMBL10374937 0.65 CCR1 (0.56) IDO1METAP2RAB9AALDH1A1MAPT

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