SCHEMBL8042460

SCHEMBL8042460

COc1ccc2c(c1)c(OCC(=O)c1ccc3c(c1)CCC(=O)N3C(Oc1nn(S(=O)(=O)c3ccc(C)cc3)c3ccc(OC)cc13)C(=O)Nc1ccc(F)cc1F)nn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
MAPT P10636 5/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DDR1 Q08345 1/20 0.33
DDR2 Q16832 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8042454 0.83 KCNA5 (0.42) KCNA5MAPTRXFP1TP53CYP3A4
SCHEMBL6970855 0.79 KCNA5 (0.53) KCNA5MAPTRXFP1TP53NPC1
SCHEMBL6970836 0.76 PKM (0.40) MAPTUSP2CYP1A2CYP3A4CYP2C9
SCHEMBL6967437 0.71 KMT2A (0.43) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL6975974 0.71 AKR1C3 (0.48) MAPTTP53CYP1A2CYP2C9RAB9A
SCHEMBL7080877 0.71 ALDH1A1 (0.46) KCNA5MAPTRXFP1TP53SMN1; SMN2
SCHEMBL6966615 0.69 KMT2A (0.43) MAPTRXFP1CYP3A4MEN1KMT2A
SCHEMBL6967275 0.68 HTR6 (0.42) KCNA5MAPTRXFP1TP53CYP3A4
SCHEMBL6965033 0.68 AKR1C3 (0.44) MAPTCYP1A2CYP2C9GAARAB9A
SCHEMBL6963364 0.68 MEN1 (0.54) MAPTTP53USP2CYP3A4CYP2C9

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