SCHEMBL6977822

SCHEMBL6977822

COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)c(Cl)c1)nn2S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 3/20 0.43
HTR6 P50406 1/20 0.43
ALOX15 P16050 2/20 0.42
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6975772 0.90 HTR6 (0.43) MAPTSMN1; SMN2POLBALDH1A1HTR6
SCHEMBL6977828 0.85 HTR6 (0.44) MAPTHTR6ALOX15HTT
SCHEMBL6967255 0.82 AKR1C3 (0.42) HTR6
SCHEMBL6967437 0.81 KMT2A (0.43) MAPTALDH1A1HTR6GAA
SCHEMBL6977877 0.78 HTR6 (0.46) MAPTSMN1; SMN2POLBALDH1A1MAPK1
SCHEMBL6965033 0.75 AKR1C3 (0.44) MAPTALDH1A1MAPK1HTR6LMNA
SCHEMBL6968051 0.74 AKR1C3 (0.46) ALDH1A1MAPK1HTR6GAA
SCHEMBL6975974 0.72 AKR1C3 (0.48) MAPTHTR6LMNATP53
SCHEMBL5660292 0.67 PPARG (0.64) HTR6
SCHEMBL1280692 0.65 POLB (0.57) MAPTSMN1; SMN2POLBALDH1A1LMNA

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