SCHEMBL8312178

SCHEMBL8312178

COc1ccc(-c2ncccc2C#N)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SQOR Q9Y6N5 2/20 0.40
USP8 P40818 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
CRHR1 P34998 1/20 0.39
SCN9A Q15858 1/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 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
SCHEMBL8311135 0.80 HPGD (0.43) PDE4BMAPTALDH1A1SQORKDM4E
SCHEMBL16879478 0.78 ALDH1A1 (0.59) PDE4BMAPTALDH1A1KDM4EPOLB
SCHEMBL10000551 0.77 TSHR (0.52) PDE4BALDH1A1SQORLRRK2CYP11B2
SCHEMBL20240554 0.75 KMT2A (0.50) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL15688500 0.74 ADRA2A (0.44) MAPTALDH1A1KDM4EKMT2ACYP11B1
SCHEMBL3287308 0.74 UGCG (0.46) PDE4BSQORSCN9A
SCHEMBL17069071 0.74 CLK4 (0.53) GAAKMT2ACYP11B1CYP11B2CRHR1
SCHEMBL10000616 0.74 CYP2A6 (0.42) PDE4BALDH1A1SQORLRRK2HPGD
SCHEMBL3293427 0.74 ALDH1A1 (0.47) PDE4BALDH1A1KDM4EPOLBGAA
SCHEMBL12320582 0.73 CRHR1 (0.50) L3MBTL1CYP11B1CYP11B2CRHR1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628046-B1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS UNION PHARMA SCIENT APPL (FR) 1999-05-12 EP disclosed
EP-0628045-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
EP-0628046-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1994-12-14 EP disclosed
WO-1993017023-A1 PYRAZOLOPYRIMIDIN DERIVATIVES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed
WO-1993017024-A1 TRIAZOLOPYRIMIDIN DERIVATIVES AS ANTIOTENSIN II RECEPTOR ANTAGONISTS LABORATOIRES UPSA (FR) 1993-09-02 WO disclosed