SCHEMBL8804535

SCHEMBL8804535

CCOC(=O)CCc1c(Cl)nc(C)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
S1PR4 O95977 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL27289016 0.86 SMN1; SMN2 (0.46) HSD17B10HPGDCYP1A2CYP2C9TSHR
SCHEMBL8803148 0.81 L3MBTL1 (0.48) HSD17B10HPGDTSHRL3MBTL1ALDH1A1
SCHEMBL8804930 0.75 ALDH1A1 (0.44) HSD17B10HPGDTSHRL3MBTL1ALDH1A1
SCHEMBL1058836 0.74 KDM4E (0.48) HSD17B10HPGDCYP1A2CYP2C9TSHR
SCHEMBL8804250 0.74 AGBL2 (0.36) HSD17B10HPGDCYP1A2CYP2C9ALDH1A1
SCHEMBL5844147 0.73 MAPK1 (0.46) HSD17B10HPGDCYP1A2CYP2C9TSHR
SCHEMBL31663340 0.73 TSHR (0.50) HSD17B10HPGDCYP1A2CYP2C9TSHR
SCHEMBL27296009 0.70
SCHEMBL27284948 0.69 MAPK1 (0.50) HSD17B10HPGDCYP1A2CYP2C9TSHR
SCHEMBL5900467 0.69 L3MBTL1 (0.44) HSD17B10HPGDTSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1039324-C Substituted azacyclo-pyrimidine compounds, their pharmaceutical salts or N-oxides, and their use as anti-inflammatory agents AMERICAN HOME PROD (US) 1998-07-29 CN disclosed
CN-1175414-A Method for preparing substd. azacyclopyrimidine compound, its pharmaceutic salt or N-oxide AMERICAN HOME PROD (US) 1998-03-11 CN disclosed
EP-0539086-B1 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PROD (US) 1997-12-29 EP disclosed
US-5498776-A Substituted pyrrolopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1996-03-12 US disclosed
US-5256654-A Substituted pyrrolopyrimidines, azepinopyrimidines and pyridopyrimidines useful as angiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-26 US disclosed
CN-1072682-A SUBSTITUTED PYRIMIDINES AMERICAN HOME PROD (US) 1993-06-02 CN disclosed
EP-0539086-A2 Condensed pyrimidine derivatives and their use as angiotensine II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-28 EP disclosed
US-5149699-A Substituted pyridopyrimidines useful as antgiotensin II antagonists AMERICAN HOME PRODUCTS CORPORATION (US) 1992-09-22 US disclosed