SCHEMBL6432986

SCHEMBL6432986

Cc1c(C(=O)O)cccc1-c1cccc(NCCN)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.52
ALK Q9UM73 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
ADRB2 P07550 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KARS1 Q15046 1/20 0.40
FABP4 P15090 2/20 0.39
MYC P01106 1/20 0.39
PTGER1 P34995 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL6437277 0.79 SYK (0.48) SYKCD274ADRB1ADRB3ADRB2
SCHEMBL6432991 0.74 NR1H4 (0.45) CD274PTGER1
SCHEMBL16247703 0.74 AKR1C2 (0.51) SYKL3MBTL1MYCPTGER1DHODH
SCHEMBL121422 0.74 HNF4A (0.63) CD274L3MBTL1FABP4MYCPTGER1
SCHEMBL13504679 0.73 HNF4A (0.50) SYKL3MBTL1MYCPTGER1DHODH
SCHEMBL15772646 0.71 ACMSD (0.52) SYKCD274L3MBTL1MYCPTGER1
SCHEMBL17158375 0.71 PPARG (0.54) CD274L3MBTL1PTGER1
SCHEMBL2556585 0.71 NR1H4 (0.46) SYKL3MBTL1
SCHEMBL5046158 0.70 MYC (0.59) L3MBTL1MYCPTGER1
SCHEMBL2559209 0.70 TRIM24 (0.53) SYKL3MBTL1MYCPTGER1

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-1087943-B1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LTD (GB) 2005-08-17 EP disclosed
US-6251925-B1 AN AGONISTS FOR HUMAN BETA-3 ADRENOCEPTOR GLAXO WELLCOME INC. 2001-06-26 US disclosed
EP-1087943-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065877-A1 THERAPEUTIC BIARYL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-23 WO disclosed