SCHEMBL28097596

SCHEMBL28097596

Cc1ccc(C(=O)O)c(-c2cccc(Br)c2CBr)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
PRNP P04156 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMS P04818 1/20 0.33
KMT2A Q03164 3/20 0.33
FOLH1 Q04609 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SORT1 Q99523 1/20 0.32
FABP4 P15090 1/20 0.32
HAAO P46952 1/20 0.32
HNF4A P41235 1/20 0.32

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
SCHEMBL28097579 0.89 MYC (0.45) MYCPOLBALDH1A1L3MBTL1LMNA
SCHEMBL28019290 0.86 MYC (0.38) MYCPRNPPOLBALDH1A1L3MBTL1
SCHEMBL28097556 0.86 MYC (0.39) MYCPOLBALDH1A1LMNAMAPT
SCHEMBL28203200 0.86 MYC (0.39) MYCPOLBALDH1A1L3MBTL1LMNA
SCHEMBL28202955 0.84 CA12 (0.44) MYCPOLBALDH1A1MAPTKDM4E
SCHEMBL28097567 0.84 MYC (0.40) MYCPOLBALDH1A1L3MBTL1LMNA
SCHEMBL28069046 0.83 MYC (0.44) MYCPRNPPOLBALDH1A1L3MBTL1
SCHEMBL28098583 0.79 MYC (0.40) MYCPRNPPOLBALDH1A1L3MBTL1
SCHEMBL28014917 0.76 MYC (0.47) MYCALDH1A1L3MBTL1LMNAMAPT
SCHEMBL28360774 0.75 AURKA (0.35) ALDH1A1L3MBTL1HPGDKMT2ATDP1

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-104884442-B Terazololine-one compound and application thereof 住友化学株式会社 2016-11-02 CN disclosed