SCHEMBL7734340

SCHEMBL7734340

NC(=O)CCc1cc(Cl)cc2nc(Cc3ccccc3Cl)oc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
NLRP3 Q96P20 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AKR1B1 P15121 1/20 0.38
NR4A2 P43354 1/20 0.36
MAPT P10636 1/20 0.35
MPO P05164 1/20 0.35
PTGER1 P34995 2/20 0.35
TP53 P04637 1/20 0.34
PTK2 Q05397 1/20 0.34
HIF1A Q16665 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33

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
SCHEMBL7734337 0.83 NLRP3 (0.36) NLRP3LMNAAKR1B1MAPTPTK2
SCHEMBL7734700 0.81 NLRP3 (0.35) NLRP3LMNAAKR1B1MAPTPTK2
SCHEMBL7733878 0.79 RAB9A (0.43) AKR1B1NR4A2RXRARXRBRXRG
SCHEMBL7734094 0.78 MEN1 (0.39) NLRP3LMNAKDM4EALDH1A1MAPT
SCHEMBL7733885 0.77 ESR1 (0.39) NLRP3LMNAKDM4EALDH1A1AKR1B1
SCHEMBL7735164 0.77 NLRP3 (0.35) NLRP3LMNAKDM4EALDH1A1AKR1B1
SCHEMBL7724834 0.76 L3MBTL1 (0.39) NLRP3LMNAKDM4EALDH1A1AKR1B1
SCHEMBL7734862 0.74 SLC22A12 (0.41) KDM4EALDH1A1AKR1B1NR4A2RXRA
SCHEMBL7734093 0.74 SIRT2 (0.37) AKR1B1MAPTRXRARXRBRXRG
SCHEMBL7733881 0.73 NLRP3 (0.36) NLRP3LMNAKDM4EALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US claimed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed