SCHEMBL8522018

SCHEMBL8522018

COc1ccc2c(c1)c(O)nn2Cc1c(C)noc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 12/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PFKFB2 O60825 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
AKR1C3 P42330 2/20 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
SCHEMBL8448659 0.77 CNR1 (0.52) ALDH1A1POLBMAPTTSHRAKR1C3
SCHEMBL8444643 0.77 SLC22A12 (0.48)
SCHEMBL8445101 0.75 NPBWR1 (0.46) ALDH1A1KDM4EMAPTTSHR
SCHEMBL8448874 0.74 MAPT (0.49) ALDH1A1MAPTTSHRAKR1C3
SCHEMBL8447010 0.74 APLNR (0.47) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL8627206 0.74 BUB1 (0.44) ALDH1A1KDM4EMAPT
SCHEMBL8445899 0.74 L3MBTL1 (0.43) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL8628466 0.74 CHRM1 (0.46) KDM4EAKR1C3
SCHEMBL6968036 0.73 CNR1 (0.49) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL8441605 0.73 PTGS2 (0.50) MAPTTSHR

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-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP disclosed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO disclosed