SCHEMBL6530292

SCHEMBL6530292

CO/N=C1\CCc2cc(NC(=O)OCc3ccccc3)ccc2N1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
MGLL Q99685 3/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
ROCK2 O75116 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL6530293 1.00 SMN1; SMN2 (0.47) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6530208 0.84 SYK (0.52) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6529620 0.83 SMN1; SMN2 (0.50) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6528645 0.82 TSHR (0.55) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL8132914 0.77 SMN1; SMN2 (0.50) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL3831190 0.76 SMN1; SMN2 (0.55) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL8116977 0.76 TSHR (0.48) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6530872 0.75 MGLL (0.45) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6530879 0.75 MGLL (0.45) SMN1; SMN2TSHRNPC1ALDH1A1TP53
SCHEMBL6511478 0.73 MGLL (0.47) SMN1; SMN2TSHRNPC1ALDH1A1TP53

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-2005082897-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-09-09 WO disclosed