SCHEMBL6973213

SCHEMBL6973213

O=C1CCc2cccc(C(=O)CBr)c2N1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
SMYD3 Q9H7B4 2/20 0.41
GRM5 P41594 2/20 0.40
SRD5A1 P18405 2/20 0.36
AHR P35869 1/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
GSK3B P49841 2/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL7350316 0.85 NPC1 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9375230 0.80 AURKA (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30114834 0.76 CRBN (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL28629553 0.76 CRBN (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5070432 0.75 ALOX15 (0.33) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9529628 0.74 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9410375 0.74 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29410901 0.72 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2230502 0.72 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6090116 0.72 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077947-B1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS DRESDEN ARZNEIMITTEL (DE) 2003-09-03 EP disclosed
EP-1077947-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-02-28 EP disclosed
WO-1999058503-A1 NOVEL 1,5 AND 3-O-SUBSTITUTED 1H-INDAZOLES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY, IMMUNO-MODULATING AND NEURO-PROTECTIVE EFFECT, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-11-18 WO disclosed
EP-0938478-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1999-09-01 EP disclosed
WO-1998022444-A1 QUATERNARY NITROGEN HETEROCYCLES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-05-28 WO disclosed
EP-0175293-A1 Bicyclic lactames, processes for their preparation, their use and compositions containing them Beiersdorf Aktiengesellschaft (DE) 1986-03-26 EP disclosed