SCHEMBL6977610

SCHEMBL6977610

COc1ccc(NC(=O)C(Oc2nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)C(Oc2nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)(C(=O)NCc2ccccc2)C(Oc2nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc23)C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.35
PKM P14618 4/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
NAMPT P43490 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
STAT1 P42224 1/20 0.34
POLB P06746 1/20 0.34
MAPK8 P45983 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL6977769 0.96 ALDH1A1 (0.35) KCNA5PKMMAPTTHRBPSEN1
SCHEMBL6977607 0.82 KCNH2 (0.40) KCNA5MAPTTHRBRXFP1ALDH1A1
SCHEMBL6975922 0.74 NPC1 (0.43) KCNA5MAPTTHRBRXFP1ALDH1A1
SCHEMBL6969751 0.72 SGMS1 (0.47) PKMALDH1A1KMT2A
SCHEMBL6963364 0.68 MEN1 (0.54) MAPTTHRBALDH1A1SMN1; SMN2GAA
SCHEMBL7825347 0.67 SMN1; SMN2 (0.45) KCNA5PKMNAMPTALDH1A1SMN1; SMN2
SCHEMBL6969760 0.67 AKR1C3 (0.39) KCNA5MAPTALDH1A1KMT2A
SCHEMBL6977903 0.65 AR (0.46) MAPTALDH1A1KMT2A
SCHEMBL6975027 0.65 HTR6 (0.45) MAPTALDH1A1KMT2APTGS2
SCHEMBL6975974 0.65 AKR1C3 (0.48) MAPTKMT2APTGS2

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