SCHEMBL28632183

SCHEMBL28632183

COc1cc(Br)c(C2OC=CO2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
HTR2A P28223 4/20 0.42
PRKDC P78527 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL29654713 0.79 HTR2C (0.45) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL515378 0.79 HTR2C (0.45) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL5883357 0.74 HTR2A (0.41) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL369991 0.71 POLB (0.67) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL29878552 0.71 POLB (0.67) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL2960423 0.71 LMNA (0.40) HTR2CHTR2APOLBTP53MAPT
SCHEMBL18840154 0.68 HTR2A (0.38) HTR2CHTR2ATP53MAPTNPSR1
SCHEMBL26122002 0.67 HTR2C (0.37) HTR2CHTR2ATP53
SCHEMBL16273602 0.67 HTR2C (0.44) HTR2CHTR2APRKDCPOLBL3MBTL1
SCHEMBL5997071 0.67 NQO2 (0.33) CYP3A4

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-113365615-A Compounds for inhibiting unregulated cell growth 戈达瓦里生物炼制有限责任公司 2021-09-07 CN disclosed