SCHEMBL6961975

SCHEMBL6961975

COc1ccc(C(=O)CCCOc2nn(S(=O)(=O)c3ccc(F)cc3)c3ccc(OC)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTR6 P50406 5/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL6966615 0.96 KMT2A (0.43) PTGDRPTGDR2HTR6CYP3A4CYP2D6
SCHEMBL6972542 0.92 MAPT (0.47) PPARGPPARDPPARAHTR6CYP3A4
SCHEMBL6972549 0.87 KMT2A (0.39) PPARGPPARDPPARAMAPTALDH1A1
SCHEMBL6966090 0.81 HTR6 (0.44) HTR6CYP3A4CYP2D6AKR1C3AKR1C2
SCHEMBL6973700 0.81 HTR6 (0.45) PTGDRPTGDR2HTR6CYP3A4CYP2D6
SCHEMBL6968051 0.80 AKR1C3 (0.46) PTGDR2PPARGPPARDPPARAHTR6
SCHEMBL6965033 0.79 AKR1C3 (0.44) PTGDR2PPARGHTR6CYP2D6AKR1C3
SCHEMBL6970702 0.77 HTR6 (0.47) PTGDR2PPARGPPARDPPARAHTR6
SCHEMBL6977071 0.77 HTR6 (0.44) HTR6CYP3A4CYP2D6DRD2HTR2A
SCHEMBL6975124 0.76 HTR6 (0.39) PTGDRPTGDR2PPARGPPARDPPARA

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