SCHEMBL9197943

SCHEMBL9197943

CCc1nc2c(C)c(C(=O)OC)sc2n1Cc1ccc(OCc2ccc(-c3nnn[nH]3)cc2C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.33
AGTR2 P50052 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
MTOR P42345 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9197935 0.85 CPB1 (0.31) AGTR1AGTR2MAPTCPB1
SCHEMBL9207021 0.83 MAPT (0.32) AGTR1AGTR2MAPT
SCHEMBL9287163 0.82 TLR7 (0.37) AGTR1AGTR2LMNA
SCHEMBL9206193 0.79 AGTR1 (0.33) AGTR1AGTR2CYP1A2MAPTTSHR
SCHEMBL9287158 0.78 TLR7 (0.39) AGTR1AGTR2
SCHEMBL9199466 0.76 NR4A2 (0.41) RAB9AKMT2A
SCHEMBL9203204 0.76 PLA2G2A (0.35) AGTR1AGTR2MAPT
SCHEMBL9196521 0.76 HDAC8 (0.39) AGTR1AGTR2MAPTTSHRRAB9A
SCHEMBL9203639 0.75 AGTR2 (0.32) AGTR1AGTR2MAPT
SCHEMBL9199463 0.73 PLA2G2A (0.36) AGTR1AGTR2MAPT

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-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 EP disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 EP disclosed