SCHEMBL6967417

SCHEMBL6967417

COc1ccc2c(c1)c(OCCOc1c(F)cccc1F)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL6971624 0.93 HTR6 (0.41) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6971803 0.89 HTR6 (0.41) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6967992 0.87 HTR6 (0.39) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6962516 0.86 MAPT (0.45) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6967275 0.85 HTR6 (0.42) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6965738 0.85 MAPT (0.44) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6977499 0.84 MAPT (0.55) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6975027 0.83 HTR6 (0.45) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6969933 0.83 ALDH1A1 (0.45) HTR6KMT2AMAPTALDH1A1KDM4E
SCHEMBL6977194 0.82 HTR6 (0.45) HTR6KMT2AMAPTALDH1A1KDM4E

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