SCHEMBL29688792

SCHEMBL29688792

COc1cc(Br)c(F)cc1C(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
HTR2A P28223 4/20 0.37
TAAR1 Q96RJ0 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL20135679 1.00 LCK (0.45) LCKFYNHTR2ATAAR1ALDH1A1
SCHEMBL19667102 0.83 LCK (0.65) LCKFYNALDH1A1KDM4ENPSR1
SCHEMBL29688751 0.82 LCK (0.46) LCKFYNHTR2ATAAR1ALDH1A1
SCHEMBL20134942 0.82 LCK (0.46) LCKFYNHTR2ATAAR1ALDH1A1
SCHEMBL3308874 0.81 LCK (0.49) LCKFYNALDH1A1KDM4ENPSR1
SCHEMBL20134845 0.81 LCK (0.45) LCKFYNALDH1A1KDM4ENPSR1
SCHEMBL1043173 0.80 GAA (0.49) LCKFYNALDH1A1KDM4ENPSR1
SCHEMBL21102196 0.80 LCK (0.65) LCKFYNHTR2ATAAR1ALDH1A1
SCHEMBL24205641 0.79 SOS1 (0.43) ALDH1A1KDM4ENPSR1GAALMNA
SCHEMBL20135416 0.79 KDM4E (0.46) ALDH1A1KDM4EGAAMAPK1HTT

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-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed