SCHEMBL4705690

SCHEMBL4705690

CN1C=CN=CC(NC(=O)Oc2cc(NC(=O)c3ccccc3Cl)[nH]n2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 3/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CCKBR P32239 4/20 0.34
BDKRB1 P46663 4/20 0.34
CCKAR P32238 3/20 0.34

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
SCHEMBL6045841 0.86 HPGD (0.40) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL4788997 0.82 BDKRB1 (0.37) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL6046033 0.77 BDKRB1 (0.40) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL4706289 0.72 BDKRB1 (0.56) HPGDSMN1; SMN2ALDH1A1KMT2ACCNA2
SCHEMBL4705023 0.71 RIPK1 (0.49) CYP2C9
SCHEMBL4704148 0.70 BDKRB1 (0.61) KMT2ACCNA2CDK2CCNA1MEN1
SCHEMBL4758773 0.69 PYGL (0.52) CCNA2CDK2CCNA1
SCHEMBL4706285 0.68 BDKRB1 (0.41) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6
SCHEMBL4705427 0.66 BDKRB1 (0.58) HPGDSMN1; SMN2ALDH1A1CYP2C9KMT2A
SCHEMBL4033964 0.64 SMN1; SMN2 (0.60) HPGDSMN1; SMN2CYP2C19ALDH1A1CYP2D6

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
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed