SCHEMBL21728084

SCHEMBL21728084

C=CCOc1cc(Br)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
LIG1 P18858 1/20 0.37
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
ACHE P22303 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
SCHEMBL4016055 0.86 ALDH1A1 (0.56) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL7816047 0.81 HPGD (0.51) HPGDALDH1A1HTTGAATSHR
SCHEMBL24969043 0.81 ALDH1A1 (0.55) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL15758311 0.81 KDM4E (0.56) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL14206692 0.80 ALDH1A1 (0.43) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL22215813 0.80 ALDH1A1 (0.50) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL5210543 0.80 HPGD (0.58) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL21728215 0.79 MAPT (0.47) HPGDALDH1A1MAPK1GAATSHR
SCHEMBL25322559 0.79 GAA (0.54) HPGDALDH1A1MEN1KMT2AGAA
SCHEMBL15758082 0.79 HPGD (0.53) HPGDALDH1A1MEN1HTTKMT2A

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
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed