SCHEMBL6969933

SCHEMBL6969933

COc1ccc2c(c1)c(OCCCOc1ccccc1)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR6 P50406 10/20 0.43
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40

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
SCHEMBL6962516 0.97 MAPT (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6975027 0.88 HTR6 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6968042 0.86 KMT2A (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6977903 0.86 AR (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6967847 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6977194 0.85 HTR6 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6976503 0.84 MAPT (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6967417 0.83 HTR6 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6971803 0.83 HTR6 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6968667 0.83 HTR6 (0.48) ALDH1A1MAPTMEN1KMT2AHTR6

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-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