SCHEMBL7187052

SCHEMBL7187052

Cc1onc(-c2ccccc2Cl)c1-c1nc2ccc(I)cc2c(=O)o1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ MAPT P10636 4/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ KMT2A Q03164 1/20 0.55
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.48
▸ C1R P00736 5/20 0.48
▸ TSHR P16473 1/20 0.47
▸ KLK7 P49862 3/20 0.44
▸ KLK14 Q9P0G3 3/20 0.44
▸ KLK5 Q9Y337 3/20 0.44
▸ CTSG P08311 2/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL914419 0.82 C1R (0.70) MAPTKMT2AC1RKLK7KLK14
SCHEMBL914173 0.73 C1R (0.72) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL914233 0.69 APEX1 (0.67) ALDH1A1NPSR1KDM4EC1RTSHR
SCHEMBL2281131 0.69 PTGS1 (1.00) ALDH1A1MAPTPTGS1PTGS2TDP1
SCHEMBL913515 0.69 C1R (0.62) ALDH1A1MAPTNPSR1KDM4EPOLB
SCHEMBL14258658 0.69 PTGS1 (0.62) ALDH1A1MAPTPTGS1PTGS2TSHR
SCHEMBL6565178 0.68 ELANE (0.56) ALDH1A1MAPTKDM4EKMT2ATDP1
SCHEMBL2280520 0.67 PTGS1 (0.68) ALDH1A1MAPTPTGS1PTGS2TDP1
SCHEMBL5780185 0.67 C1R (1.00) ALDH1A1MAPTKMT2AC1RKLK7
SCHEMBL913503 0.66 C1R (0.65) ALDH1A1KDM4EPOLBKMT2AC1R

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 — — WO claimed
Send feedback