SCHEMBL28570620

SCHEMBL28570620

O=c1c(Br)ccc2oc3ccccc3nc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
MITF O75030 1/20 0.46
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1I2 O75469 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL8205651 0.81 MAPT (0.46) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL1635786 0.81 MAPT (0.54) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL3494874 0.77 MAPT (0.44) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL306543 0.75 MAPT (0.50) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL29631752 0.75 MAPT (0.50) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL28560105 0.74 MAPT (0.44) MAPTKMT2AMEN1MITFALDH1A1
Hydrochloric Acid SCHEMBL10485854 0.73 MAPT (0.49) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL1550910 0.73 MAPT (0.46) MAPTKMT2AMEN1MITFKDM4E
SCHEMBL1635805 0.73 RAB9A (0.49) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL5492954 0.72 ELANE (0.45) MAPTKMT2AMEN1MITFL3MBTL1

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-112585690-A System and method for producing individualized individual unit doses containing a pharmaceutically active substance 阿奎斯蒂弗医疗股份有限公司 2021-03-30 CN disclosed