SCHEMBL28487486

SCHEMBL28487486

OCc1ccc2c(c1)Sc1ccccc1C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.34
DRD2 P14416 2/20 0.34
GRIN2B Q13224 2/20 0.33
TTR P02766 1/20 0.33
PDK2 Q15119 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9681447 0.90 GRIN2B (0.36) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL11010781 0.82 KMT2A (0.63) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL11814855 0.78 KMT2A (0.35) ALDH1A1KMT2AMEN1ATMTSHR
SCHEMBL2310400 0.77 TSHR (0.42) ALDH1A1ATMTSHRDRD2GRIN2B
SCHEMBL11103482 0.77 GRIN2B (0.34) GRIN2BHSD17B10
SCHEMBL3850258 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ELMNAKMT2A
Thioxanthene SCHEMBL8717 0.77 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNAKMT2A
Thioxanthene SCHEMBL29398766 0.77 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL4487693 0.77 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNAKMT2A
SCHEMBL18883322 0.75 SNCA (0.41) KDM4ELMNAKMT2AMEN1HTT

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-111918653-A Novel MTOR inhibitor compounds 盖尔德马研究及发展公司 2020-11-10 CN disclosed