SCHEMBL7095690

SCHEMBL7095690

CCC(Cc1ccccc1)=NN

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HIF1A Q16665 1/20 0.39
CTBP2 P56545 1/20 0.38
NOS2 P35228 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL11450830 0.87 ALDH1A1 (0.52) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL5604550 0.81 CTBP2 (0.48) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL5604545 0.81 CTBP2 (0.48) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL16844178 0.73 ALDH1A1 (0.40) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL22517555 0.73 CES1 (0.48) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL5586174 0.72 ALDH1A1 (0.43) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL8778515 0.71 CES2 (0.46) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL27597354 0.71 CES1 (0.46) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL5955218 0.71 HIF1A (0.57) ALDH1A1GAALMNAHTTKMT2A
SCHEMBL5955216 0.71 HIF1A (0.57) ALDH1A1GAALMNAHTTKMT2A

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-20030158237-A1 Combination of antioxidant substances for the treatment of alzheimer's disease COLBA R & D INC. (CA) 2003-08-21 US disclosed