SCHEMBL11042008

SCHEMBL11042008

[CH2]C(Br)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
C1S P09871 1/20 0.34
PARP1 P09874 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL642404 0.80 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL20764854 0.79 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL27774487 0.79 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL28741804 0.79 ALDH1A1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL11138739 0.79 ALDH1A1 (0.44) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL28256417 0.79 IDO1 (0.48) IDO1TDO2ALDH1A1MAPK1MBTD1
SCHEMBL29013797 0.78 IDO1 (0.47) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL16954438 0.77 IDO1 (0.43) IDO1TDO2ALDH1A1MAPK1MBTD1
SCHEMBL27917252 0.77 IDO1 (0.43) IDO1TDO2ALDH1A1MAPK1CYP3A4
SCHEMBL4082761 0.77 IDO1 (0.50) IDO1TDO2ALDH1A1MAPK1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474999-A Phenol compounds, process and polymers GENERAL ELECTRIC COMPANY (US) 1984-10-02 US disclosed
US-4415724-A Branched aromatic polycarbonate from tetraphenol GENERAL ELECTRIC COMPANY (US) 1983-11-15 US disclosed