SCHEMBL6975124

SCHEMBL6975124

COc1ccc(S(=O)(=O)n2nc(OCCOc3c(F)cc(F)cc3Br)c3cc(OC)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TNF P01375 1/20 0.35

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
SCHEMBL6967992 0.96 HTR6 (0.39) HTR6KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL6977301 0.95 HTR6 (0.40) HTR6KMT2ACYP3A4CYP2D6MEN1
SCHEMBL6971624 0.89 HTR6 (0.41) HTR6KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL6971751 0.84 CNR2 (0.41) HTR6KMT2AALDH1A1LMNAMEN1
SCHEMBL6967417 0.81 HTR6 (0.41) HTR6KMT2AALDH1A1MEN1MAPT
SCHEMBL6967275 0.80 HTR6 (0.42) HTR6KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL6975698 0.80 HTR6 (0.39) HTR6KMT2AALDH1A1MEN1MAPT
SCHEMBL6966090 0.79 HTR6 (0.44) HTR6KMT2ACYP3A4CYP2D6MEN1
SCHEMBL6970702 0.79 HTR6 (0.47) HTR6KMT2AALDH1A1LMNAMEN1
SCHEMBL6969861 0.78 CNR2 (0.44) KMT2ALMNACYP3A4CYP2D6MEN1

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