SCHEMBL1744039

SCHEMBL1744039

CCOC(=O)OC1=C(C)Nc2nnnn2C1c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 7/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 6/20 0.47
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL230555 0.86 LMNA (0.64) MAPTTP53LMNATSHRALDH1A1
SCHEMBL229421 0.80 HPGD (0.55) MAPTTP53LMNATSHRALDH1A1
SCHEMBL15455520 0.80 ALDH1A1 (0.53) MAPTTP53LMNATSHRALDH1A1
SCHEMBL4259882 0.77 ALDH1A1 (0.70) MAPTTP53LMNATSHRALDH1A1
SCHEMBL14632151 0.77 MAPT (0.42) MAPTTP53TSHRALDH1A1NPSR1
SCHEMBL4255401 0.74 ALDH1A1 (0.67) MAPTLMNATSHRALDH1A1PKM
SCHEMBL3005944 0.72 ALDH1A1 (0.67) MAPTTP53LMNATSHRALDH1A1
SCHEMBL14632050 0.72 ELANE (0.59)
SCHEMBL14632161 0.72 ELANE (0.59)
SCHEMBL2742310 0.69 TSHR (0.67) MAPTTP53LMNATSHRALDH1A1

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-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
EP-2385945-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 EP disclosed
US-8041896-B2 Virtualization platform with dedicated cache access HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-18 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed