SCHEMBL6977607

SCHEMBL6977607

COc1ccc(NC(=O)COc2nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)cc1.COc1ccc2c(c1)c(OCC(=O)NCc1ccccc1)nn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(OCC(=O)Nc1ccc(Cl)cc1Cl)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
KCNA5 P22460 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
PTGS2 P35354 1/20 0.39
SGMS1 Q86VZ5 1/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6975922 0.89 NPC1 (0.43) KCNA5NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6969751 0.87 SGMS1 (0.47) NPC1L3MBTL1ALDH1A1KMT2ASGMS1
SCHEMBL6963364 0.84 MEN1 (0.54) KCNH2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6977610 0.82 KCNA5 (0.35) KCNA5ALDH1A1SMN1; SMN2RXFP1KMT2A
SCHEMBL6977769 0.82 ALDH1A1 (0.35) KCNA5ALDH1A1SMN1; SMN2RXFP1KMT2A
SCHEMBL6970855 0.76 KCNA5 (0.53) KCNA5NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6975974 0.74 AKR1C3 (0.48) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL6969760 0.71 AKR1C3 (0.39) KCNA5ALDH1A1MEN1KMT2AMAPT
SCHEMBL6968051 0.71 AKR1C3 (0.46) ALDH1A1PTGS2
SCHEMBL6977903 0.71 AR (0.46) NPC1RAB9AALDH1A1MEN1KMT2A

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-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 claimed
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