SCHEMBL7724834

SCHEMBL7724834

Clc1cc(Br)c2oc(Cc3ccccc3Cl)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
PTK2 Q05397 1/20 0.39
NLRP3 Q96P20 2/20 0.37
CETP P11597 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
AKR1B1 P15121 1/20 0.36
C1R P00736 1/20 0.34
MPO P05164 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
PKM P14618 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL7733885 0.80 ESR1 (0.39) L3MBTL1PTK2NLRP3LMNAMAPT
SCHEMBL7733984 0.80 NPC1 (0.43) PTK2LMNAMAPTPKM
SCHEMBL7734337 0.79 NLRP3 (0.36) L3MBTL1PTK2NLRP3LMNAMAPT
SCHEMBL7733881 0.78 NLRP3 (0.36) L3MBTL1PTK2NLRP3LMNAMAPT
SCHEMBL7734700 0.77 NLRP3 (0.35) L3MBTL1PTK2NLRP3LMNAMAPT
SCHEMBL7734094 0.76 MEN1 (0.39) PTK2NLRP3LMNAMAPTALDH1A1
SCHEMBL7734340 0.76 ATM (0.41) PTK2NLRP3LMNAMAPTALDH1A1
SCHEMBL7735204 0.74 PGK1 (0.38) L3MBTL1PTK2NLRP3LMNAMAPT
SCHEMBL7735657 0.73 NPC1 (0.49) L3MBTL1CETPMAPTALDH1A1KDM4E
SCHEMBL7735164 0.73 NLRP3 (0.35) PTK2NLRP3LMNAMAPTALDH1A1

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
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