SCHEMBL7752068

SCHEMBL7752068

CCCCC(=O)Nc1c(NCc2ccc(C(=O)O)cc2)ncnc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.44
EGFR P00533 4/20 0.43
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
KDR P35968 3/20 0.40
ERBB2 P04626 2/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL7752026 0.90 SMN1; SMN2 (0.47) BDKRB1EGFRHTTCNR1GSK3B
SCHEMBL7746219 0.88 PPARG (0.44) BDKRB1EGFRHDAC3HDAC4HDAC1
SCHEMBL7751822 0.87 BDKRB1 (0.46) BDKRB1EGFRHDAC3HDAC4HDAC1
SCHEMBL7753157 0.82 BDKRB1 (0.53) BDKRB1EGFRHDAC3HDAC4HDAC1
SCHEMBL7753196 0.82 ALDH1A1 (0.46) BDKRB1EGFRHDAC3HDAC1HDAC2
SCHEMBL7753170 0.81 GSK3B (0.48) BDKRB1EGFRHTTCA1CA2
SCHEMBL7750841 0.81 EGFR (0.52) BDKRB1EGFRHDAC3HDAC4HDAC1
SCHEMBL7746181 0.79 BDKRB1 (0.48) BDKRB1EGFRHDAC3HDAC4HDAC1
SCHEMBL7750846 0.78 HPGD (0.47) BDKRB1EGFRHTTCNR1GSK3B
SCHEMBL7753138 0.78 LTB4R2 (0.40) BDKRB1EGFRHDAC3HDAC4HDAC1

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