SCHEMBL7006231

SCHEMBL7006231

Cc1ccc(-c2cncnc2N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.67
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 4/20 0.56
ADK P55263 3/20 0.49
MAP4K4 O95819 1/20 0.45
SRC P12931 1/20 0.44
PPARG P37231 2/20 0.43
MCL1 Q07820 2/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
POLB P06746 1/20 0.43
LRRK2 Q5S007 4/20 0.43
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTK2B Q14289 1/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL30046665 0.90 DGAT1 (0.56) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2424040 0.81 DGAT1 (0.62) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30046676 0.81 DGAT1 (0.62) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30782543 0.81 DGAT1 (0.62) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30046414 0.80 DGAT1 (0.61) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL20522402 0.80 DGAT1 (0.61) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1270834 0.80 KDM4E (0.64) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6068337 0.80 DGAT1 (0.61) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27454250 0.78 DGAT1 (0.58) DGAT1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30046803 0.78 DGAT1 (0.77) DGAT1MEN1KMT2ACYP1A2CYP3A4

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-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed