SCHEMBL7746182

SCHEMBL7746182

CCCCC(=O)Nc1c(NCCc2ccccc2)ncnc1NCc1ccc(C(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 3/20 0.43
MGLL Q99685 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41

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
SCHEMBL7753157 0.94 BDKRB1 (0.53) BDKRB1CA1CA2LMNAMAPT
SCHEMBL7753196 0.91 ALDH1A1 (0.46) BDKRB1CA1CA2NPC1ALDH1A1
SCHEMBL7750817 0.90 ALDH1A1 (0.52) BDKRB1MAPTALDH1A1EGFRPOLB
SCHEMBL7753170 0.85 GSK3B (0.48) BDKRB1CA1CA2MAPTALDH1A1
SCHEMBL7751822 0.85 BDKRB1 (0.46) BDKRB1LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL7746181 0.83 BDKRB1 (0.48) BDKRB1CA1CA2LMNAMAPT
SCHEMBL7750841 0.83 EGFR (0.52) BDKRB1NPC1ALDH1A1SMN1; SMN2EGFR
SCHEMBL7746195 0.81 BDKRB1 (0.46) BDKRB1CA1CA2LMNAMAPT
SCHEMBL7752026 0.79 SMN1; SMN2 (0.47) BDKRB1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL7746219 0.78 PPARG (0.44) BDKRB1MAPTALDH1A1EGFRPOLB

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