SCHEMBL5790698

SCHEMBL5790698

COc1ccccc1-c1nc2ccc(Br)cc2c(=O)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 4/20 0.72
KLK7 P49862 7/20 0.64
KLK14 Q9P0G3 7/20 0.64
KLK5 Q9Y337 7/20 0.64
CTSG P08311 6/20 0.64
PRSS1 P07477 1/20 0.64
ELANE P08246 2/20 0.63
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
CTRC Q99895 2/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5793545 0.86 C1R (0.76) C1RKLK7KLK14KLK5CTSG
SCHEMBL7316897 0.84 ELANE (0.60) C1RKLK7KLK14KLK5CTSG
SCHEMBL692226 0.84 C1R (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL30366271 0.84 C1R (1.00) C1RKLK7KLK14KLK5CTSG
SCHEMBL5793015 0.83 KMT2A (0.63) C1RELANEKMT2AMEN1ALDH1A1
SCHEMBL4055188 0.82 GPR119 (0.55) C1RKLK7KLK14KLK5CTSG
SCHEMBL5794442 0.81 ELANE (0.71) C1RKLK7KLK14KLK5CTSG
SCHEMBL914093 0.81 C1R (0.66) C1RKLK7KLK14KLK5CTSG
SCHEMBL5387023 0.81 C1R (0.66) C1RKLK7KLK14KLK5CTSG
SCHEMBL914380 0.81 C1R (0.70) C1RKLK7KLK14KLK5CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006012577-A2 QUINAZOLINONE DERIVATIVES USEFUL FOR THE REGULATION OF GLUCOSE HOMEOSTASIS AND FOOD INTAKE BAYER PHARMACEUTICALS CORPORATION (US) 2006-02-02 WO disclosed