SCHEMBL4700941

SCHEMBL4700941

O=C(NCCc1ccncc1)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1Br

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.45
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
ALDH1A1 P00352 2/20 0.42
F2 P00734 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4706569 0.91 BDKRB1 (0.51) BDKRB1ITGB1ITGA4ITGB7NPC1
SCHEMBL4705689 0.91 BDKRB1 (0.52) BDKRB1SMN1; SMN2JAK2TYK2ALDH1A1
SCHEMBL4705722 0.88 BDKRB1 (0.48) BDKRB1ITGB1ITGA4ITGB7NPC1
SCHEMBL6045814 0.87 BDKRB1 (0.69) BDKRB1SMN1; SMN2NPC1RAB9AJAK2
SCHEMBL4704544 0.86 BDKRB1 (0.44) BDKRB1SMN1; SMN2ITGB1ITGA4ITGB7
SCHEMBL4705143 0.86 BDKRB1 (0.49) BDKRB1ITGB1ITGA4ITGB7NPC1
SCHEMBL4789665 0.85 BDKRB1 (0.53) BDKRB1
SCHEMBL4788480 0.85 BDKRB1 (0.43) BDKRB1SMN1; SMN2ITGB1ITGA4ITGB7
SCHEMBL4706254 0.84 BDKRB1 (0.46) BDKRB1ITGB1ITGA4ITGB7NPC1
SCHEMBL4702475 0.84 BDKRB1 (0.42) BDKRB1SMN1; SMN2ITGB1ITGA4ITGB7

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