SCHEMBL4789701

SCHEMBL4789701

O=C(NC1CCCCNC1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.46
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
CDK2 P24941 2/20 0.41
CCNA1 P78396 2/20 0.41
CCNA2 P20248 1/20 0.41
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHEK1 O14757 5/20 0.38
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL4790284 0.91 ITGB1 (0.49) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL4706230 0.89 CDK2 (0.48) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL14084948 0.87 BDKRB1 (0.49) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL4700629 0.87 BDKRB1 (0.49) BDKRB1CDK2CCNA1CCNA2RAB9A
SCHEMBL4703550 0.85 BDKRB1 (0.42) BDKRB1CDK2CCNA1CCNA2CHEK1
SCHEMBL4790676 0.84 CDK2 (0.42) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL4704306 0.84 BDKRB1 (0.45) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL4705194 0.84 BDKRB1 (0.45) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL4705006 0.83 BDKRB1 (0.65) BDKRB1ITGB1ITGA4ITGB7CDK2
SCHEMBL4705242 0.83 BDKRB1 (0.65) BDKRB1ITGB1ITGA4ITGB7CDK2

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