SCHEMBL5788308

SCHEMBL5788308

NC(=O)c1c(Cc2ccccc2)cccnc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ PAX8 Q06710 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MET P08581 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LIMK2 P53671 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
SCHEMBL5785431 0.81 KDM4E (0.42) ALDH1A1MAPTHPGDHSD17B10RPS6KB1
SCHEMBL30006999 0.80 KDM4E (0.47) PLA2G10PLA2G2APAX8ALDH1A1MAPT
SCHEMBL28492022 0.80 KDM4E (0.47) PLA2G10PLA2G2APAX8ALDH1A1MAPT
SCHEMBL28295740 0.77 PLA2G10 (0.45) PLA2G10PLA2G2APAX8ALDH1A1MAPT
SCHEMBL28790249 0.77 PLA2G10 (0.45) PLA2G10PLA2G2APAX8ALDH1A1MAPT
SCHEMBL22265949 0.74 PLA2G2A (0.49) PLA2G10PLA2G2AALDH1A1MAPTUSP2
SCHEMBL29394811 0.74 PAX8 (0.43) PLA2G10PLA2G2APAX8MAPTHPGD
SCHEMBL12873970 0.72 ALDH1A1 (0.44) PLA2G10PLA2G2AALDH1A1MAPTUSP2
SCHEMBL163384 0.72 KDM4E (0.50) PAX8ALDH1A1MAPTALOX15NPSR1
SCHEMBL2960936 0.72 KDM4E (0.64) PAX8ALDH1A1MAPTALOX15NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-A1 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 Pharmaceuticals, Inc. (US) 2006-03-15 — — EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 — — WO disclosed
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