SCHEMBL8101641

SCHEMBL8101641

Cc1nnc(Sc2ccccc2N)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
PAX8 Q06710 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 3/20 0.40
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL28353371 0.74 MAPT (0.53) PKMMAPTNPSR1LMNAALDH1A1
SCHEMBL8101780 0.73 LMNA (0.53) PKMMAPTLMNAALDH1A1MEN1
SCHEMBL28453136 0.72 NPSR1 (0.58) PKMMAPTNPSR1MAPK1PAX8
SCHEMBL8525227 0.71 POLB (0.45) PKMMAPTLMNAALDH1A1POLB
SCHEMBL14409100 0.70 PKM (0.49) PKMMAPTNPSR1MAPK1PAX8
SCHEMBL29869345 0.70 MEN1 (0.68) PKMMAPTNPSR1LMNAALDH1A1
SCHEMBL713707 0.70 MEN1 (0.68) PKMMAPTNPSR1LMNAALDH1A1
SCHEMBL13818466 0.68 GAA (0.41) MAPTNPSR1LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL8645056 0.68 MEN1 (0.65) PKMMAPTNPSR1LMNAALDH1A1
SCHEMBL6003193 0.68 MEN1 (0.65) PKMMAPTNPSR1LMNAALDH1A1

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 4 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
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed