SCHEMBL11514770

SCHEMBL11514770

CCOC(=O)C(C)Oc1ccc(Sc2ccc(C(F)(F)F)cc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
KMT2A Q03164 1/20 0.42
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 5/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
PPARD Q03181 2/20 0.38
CFTR P13569 1/20 0.38
PPARA Q07869 1/20 0.38
TP53 P04637 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
SCHEMBL11516084 0.88 IDH1 (0.46) IDH1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL11514708 0.88 IDH1 (0.44) IDH1KMT2ALMNAL3MBTL1MAPT
SCHEMBL11514550 0.87 IDH1 (0.46) IDH1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL11262145 0.87 IDH1 (0.46) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL11512279 0.86 IDH1 (0.45) IDH1KMT2ALMNAL3MBTL1MAPT
SCHEMBL11516273 0.85 IDH1 (0.53) IDH1KMT2ALMNAL3MBTL1POLB
SCHEMBL11514005 0.85 IDH1 (0.46) IDH1KMT2ALMNAL3MBTL1MAPT
SCHEMBL11513595 0.85 IDH1 (0.44) IDH1KMT2ALMNAL3MBTL1MAPT
SCHEMBL11258639 0.84 MAPT (0.48) IDH1KMT2ALMNAMAPTALDH1A1
SCHEMBL11516087 0.82 IDH1 (0.48) IDH1KMT2ALMNAL3MBTL1MAPT

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
US-4178169-A Diphenyl sulfide, sulfoxide and sulfone plant growth regulators ROHM AND HAAS COMPANY (US) 1979-12-11 US disclosed