SCHEMBL6824923

SCHEMBL6824923

CC(N)[C@@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 3/20 0.52
HIF1A Q16665 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2C P18825 1/20 0.52
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TSHR P16473 3/20 0.47
CYP3A4 P08684 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MARS2 Q96GW9 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL18383388 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHIF1AADRA2A
SCHEMBL6441607 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHIF1AADRA2A
Hydrochloric Acid SCHEMBL31568880 0.98 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHIF1AADRA2A
SCHEMBL11614118 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL12159675 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL18517040 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL18116758 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL18211541 0.81 MEN1 (0.54) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL22577634 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL811522 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTKMT2AMEN1

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-2004063175-A1 A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE NATCO PHARMA LIMITED (IN) 2004-07-29 WO disclosed