SCHEMBL6977877

SCHEMBL6977877

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)c(Cl)c1)nn2S(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
HCRTR1 O43613 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
SCHEMBL6967255 0.90 AKR1C3 (0.42) HTR6PKMCA12CA1CA2
SCHEMBL6967437 0.89 KMT2A (0.43) HTR6MAPTALDH1A1KDM4EKMT2A
SCHEMBL6965033 0.84 AKR1C3 (0.44) HTR6MAPTALDH1A1PTGS2KDM4E
SCHEMBL6968051 0.83 AKR1C3 (0.46) HTR6ALDH1A1PTGS2PKMMAPK1
SCHEMBL6977828 0.82 HTR6 (0.44) HTR6MAPTHTTRAB9A
SCHEMBL6975974 0.81 AKR1C3 (0.48) HTR6MAPTPTGS2KDM4EKMT2A
SCHEMBL6975772 0.80 HTR6 (0.43) HTR6MAPTALDH1A1PTGS2SMN1; SMN2
SCHEMBL6977822 0.78 MAPT (0.49) HTR6MAPTALDH1A1HTTHSD17B10
SCHEMBL6963364 0.78 MEN1 (0.54) HTR6MAPTALDH1A1KDM4EKMT2A
SCHEMBL6975922 0.73 NPC1 (0.43) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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