SCHEMBL9255657

SCHEMBL9255657

CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)C(C(N)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.41
ALDH1A1 P00352 11/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1D1 P20393 2/20 0.35
CNR1 P21554 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TGM2 P21980 2/20 0.34
F13A1 P00488 1/20 0.34
TGM1 P22735 1/20 0.34

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
SCHEMBL9253269 0.88 SLC29A1 (0.52) SLC29A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8553179 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9031244 0.75 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8674877 0.71 SLC29A1 (0.80) SLC29A1ALDH1A1LMNAMEN1KMT2A
SCHEMBL8555004 0.70 ALDH1A1 (0.57) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12005556 0.70 ALDH1A1 (0.64) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27538037 0.69 ALDH1A1 (0.57) ALDH1A1LMNAMAPTNR1D1SMN1; SMN2
SCHEMBL4828906 0.68 GPR119 (0.48) SMN1; SMN2
SCHEMBL4828897 0.68 GPR119 (0.48) SMN1; SMN2
SCHEMBL9808198 0.68 SLC29A1 (0.71) SLC29A1ALDH1A1LMNAMAPTMEN1

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-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed