SCHEMBL6534103

SCHEMBL6534103

Cc1oc(-c2ccccc2)nc1COCC#Cc1ccc(/C=C2\SC(=O)NC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.45
PTPN1 P18031 3/20 0.43
KCNH2 Q12809 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
POLB P06746 1/20 0.43
PTGS2 P35354 2/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
AKR1B1 P15121 1/20 0.40
PIK3CG P48736 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
SCHEMBL6534107 1.00 HPGD (0.45) HPGDPTPN1KCNH2MAOAMAOB
SCHEMBL10365494 0.84 HPGD (0.61) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL10365493 0.84 HPGD (0.61) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL8141922 0.80 KCNH2 (0.50) HPGDPTPN1KCNH2MAOAMAOB
SCHEMBL8141923 0.80 KCNH2 (0.50) HPGDPTPN1KCNH2MAOAMAOB
SCHEMBL10366704 0.79 HPGD (0.61) HPGDPIM1PIM2PPARGPPARA
SCHEMBL10364994 0.79 HPGD (0.61) HPGDPIM1PIM2PPARGPPARA
SCHEMBL10364971 0.79 HPGD (0.61) HPGDPIM1PIM2PPARGPPARA
SCHEMBL9316768 0.77 HPGD (0.48) HPGDKCNH2POLBPIM1PIM3
SCHEMBL9316762 0.77 HPGD (0.48) HPGDKCNH2POLBPIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100331-A2 ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed