SCHEMBL6972549

SCHEMBL6972549

COc1ccc(C(=O)CCCOc2nn(S(=O)(=O)c3ccc(C)c(O)c3)c3ccc(OC)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PDE4B Q07343 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
NSD2 O96028 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
SCHEMBL6972542 0.89 MAPT (0.47) KMT2AMAPTPPARGPPARDPPARA
SCHEMBL6961975 0.87 PTGDR (0.42) KMT2AMAPTPPARGPPARDPPARA
SCHEMBL6966615 0.84 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1
SCHEMBL6971590 0.82 AKR1C3 (0.38) KMT2AMAPTMEN1CA12CA1
SCHEMBL6967854 0.81 PTPN11 (0.41) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL6973904 0.81 ALDH1A1 (0.46) KMT2AMAPTMEN1POLBALDH1A1
SCHEMBL6977906 0.78 CNR2 (0.40) KMT2AMEN1CA12CA1CA2
SCHEMBL6978862 0.77 HTR6 (0.36) KMT2AMAPTPPARGPPARDPPARA
SCHEMBL6968051 0.77 AKR1C3 (0.46) PPARGPPARDPPARAALDH1A1GAA
SCHEMBL6965033 0.75 AKR1C3 (0.44) KMT2AMAPTPPARGMEN1ALDH1A1

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