SCHEMBL8101780

SCHEMBL8101780

Cc1nnc(Sc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
PDE7A Q13946 2/20 0.49
ALDH1A1 P00352 4/20 0.46
HTT P42858 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 6/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
USP7 Q93009 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.42
MCL1 Q07820 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
SCHEMBL31272173 0.75 PDE7A (0.78) LMNASMN1; SMN2PDE7AALDH1A1MAPT
SCHEMBL875772 0.75 PDE7A (0.78) LMNASMN1; SMN2PDE7AALDH1A1MAPT
SCHEMBL8101641 0.73 PKM (0.47) LMNAALDH1A1HTTPOLBMAPT
SCHEMBL2417324 0.73 PDE7A (0.64) LMNASMN1; SMN2PDE7AALDH1A1HTT
SCHEMBL6746930 0.72 MAPK8 (0.69) LMNASMN1; SMN2ALDH1A1HTTPOLB
SCHEMBL1208099 0.71 MGAM (0.68) LMNASMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL8881808 0.70 MAPT (0.58) LMNASMN1; SMN2PDE7AALDH1A1HTT
SCHEMBL7114205 0.70 SMN1; SMN2 (0.55) LMNASMN1; SMN2PDE7AALDH1A1HTT
SCHEMBL3384869 0.69 PDE7A (0.58) LMNASMN1; SMN2PDE7AALDH1A1MAPT
SCHEMBL1341344 0.69 PDE7A (0.54) LMNASMN1; SMN2PDE7AALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed