SCHEMBL9023979

SCHEMBL9023979

CCCCc1c(C)nc(C(F)(F)F)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TYMP P19971 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9024961 0.91 ALDH1A1 (0.35) GABRA2GABRB2ALDH1A1
SCHEMBL649969 0.76 TLR8 (0.39) TLR8TLR7KDM4ETYMPALDH1A1
SCHEMBL9025130 0.75 NPSR1 (0.37) KDM4EALDH1A1
SCHEMBL6416413 0.73 TLR8 (0.56) TLR8TLR7
SCHEMBL1256041 0.71 PDE10A (0.31) KDM4EALDH1A1
SCHEMBL11324625 0.70 TLR8 (0.35) TLR8TLR7KDM4ETYMPALDH1A1
SCHEMBL11621518 0.69 LMNA (0.46) TLR8TLR7KDM4EALDH1A1
SCHEMBL11862558 0.69 TYMP (0.38) TLR8TLR7KDM4ETYMPALDH1A1
SCHEMBL12495762 0.69 PDK2 (0.42) TLR8TLR7KDM4ETYMPALDH1A1
SCHEMBL8243106 0.68 HSP90AA1 (0.31) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed