SCHEMBL8042454

SCHEMBL8042454

COc1ccc2c(c1)c(OCC(=O)Nc1ccc(F)cc1F)nn2S(=O)(=O)c1ccc(C)cc1.COc1ccc2c(c1)c(OCC(=O)c1ccc3c(c1)CCC(=O)N3)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
CRBN Q96SW2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
ROCK2 O75116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6970836 0.89 PKM (0.40) MAPTPOLBCRBNL3MBTL1CYP3A4
SCHEMBL6970855 0.86 KCNA5 (0.53) KCNA5MAPTRXFP1ALDH1A1TP53
SCHEMBL8042460 0.83 KCNA5 (0.39) KCNA5MAPTPOLBRXFP1CYP3A4
SCHEMBL7080877 0.78 ALDH1A1 (0.46) KCNA5MAPTRXFP1ALDH1A1TP53
SCHEMBL6967908 0.75 HTR6 (0.36) MAPTL3MBTL1HTTALDH1A1
SCHEMBL6963364 0.73 MEN1 (0.54) MAPTPOLBCYP3A4CYP2C9ALDH1A1
SCHEMBL6975922 0.73 NPC1 (0.43) KCNA5MAPTPOLBRXFP1L3MBTL1
SCHEMBL6967437 0.73 KMT2A (0.43) MAPTALDH1A1
SCHEMBL6975974 0.72 AKR1C3 (0.48) MAPTL3MBTL1CYP2C9TP53
SCHEMBL6966615 0.71 KMT2A (0.43) MAPTRXFP1CYP3A4ALDH1A1

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
US-6166023-A 1,5- and 3-O-substituted 1H-indazoles having anti-asthmatic, anti-allergic, anti-inflammatory, immunomodulating and neuroprotective action, process for their preparation and their use as medicaments ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-26 US disclosed