SCHEMBL26437237

SCHEMBL26437237

CCOC(=O)c1c(OC)cc(Br)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B2 P37059 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL26437234 0.88 LMNA (0.54) LMNAL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL15328300 0.81 CYP3A4 (0.53) LMNAL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL26437251 0.81 CA12 (0.44) LMNAL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL21591042 0.81 MTNR1A (0.36) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL26437235 0.80 NR1H2 (0.56) LMNAL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL18786715 0.77 LMNA (0.47) LMNAL3MBTL1ALDH1A1CYP1A2CYP2C19
SCHEMBL25386161 0.77 LCK (0.49) LMNAL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL25329460 0.75 NR1I2 (0.42) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27452329 0.75 NQO2 (0.38) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21593357 0.74 PTGS2 (0.42) LMNAMEN1KMT2A

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
WO-2023066204-A1 SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2023-04-27 WO disclosed