SCHEMBL7751822

SCHEMBL7751822

CCCCC(=O)Nc1c(NCc2ccccc2)ncnc1NCc1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.46
ALDH1A1 P00352 3/20 0.46
EPHX2 P34913 1/20 0.45
POLB P06746 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 3/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
VCP P55072 1/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL7753196 0.94 ALDH1A1 (0.46) BDKRB1ALDH1A1EPHX2POLBTDP1
SCHEMBL7753157 0.90 BDKRB1 (0.53) BDKRB1ALDH1A1EPHX2POLBTDP1
SCHEMBL7746219 0.90 PPARG (0.44) BDKRB1ALDH1A1EPHX2POLBTDP1
SCHEMBL7752026 0.89 SMN1; SMN2 (0.47) BDKRB1POLBEGFRHTTHPGD
SCHEMBL7752068 0.87 BDKRB1 (0.44) BDKRB1ALDH1A1EGFRHDAC3HDAC4
SCHEMBL7750841 0.87 EGFR (0.52) BDKRB1ALDH1A1POLBEGFRHDAC3
SCHEMBL7753138 0.85 LTB4R2 (0.40) BDKRB1ALDH1A1POLBTDP1EGFR
SCHEMBL7746182 0.85 BDKRB1 (0.49) BDKRB1ALDH1A1POLBTDP1EGFR
SCHEMBL7750817 0.81 ALDH1A1 (0.52) BDKRB1ALDH1A1POLBEGFR
SCHEMBL7753170 0.81 GSK3B (0.48) BDKRB1ALDH1A1POLBEGFRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686631-B1 Pyrimidine derivatives and pharmaceutical compositions KUREHA CHEMICAL IND CO LTD (JP) 2001-01-17 EP disclosed
US-5585381-A HYPOTENSIVE AGENT AND ALSO TREATING KIDNEY RENAL DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-17 US disclosed
EP-0686631-A1 Pyrimidine derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-13 EP disclosed