SCHEMBL6970174

SCHEMBL6970174

COc1ccc2c(c1)c(Cc1noc(-c3ccc(C(C)(C)C)cc3)n1)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 3/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2D6 P10635 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTR6 P50406 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CASR P41180 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6961947 0.83 CYP2D6 (0.48) MAPTMAPK1L3MBTL1ALDH1A1CYP2D6
SCHEMBL6973721 0.74 L3MBTL1 (0.44) MAPTMAPK1L3MBTL1ALDH1A1CYP2D6
SCHEMBL9948843 0.74 HTR6 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6977585 0.70 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13947533 0.69 HTR6 (0.48) MAPTMEN1KMT2AHTR6NPC1
SCHEMBL6970785 0.66 LMNA (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30302192 0.65 HTT (0.48) MAPTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3030572 0.64 PPARG (0.62) MAPTALDH1A1KMT2AHTR6HPGD
SCHEMBL16099804 0.64 HTR6 (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6962516 0.64 MAPT (0.45) MAPTL3MBTL1ALDH1A1MEN1KMT2A

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