SCHEMBL5310459

SCHEMBL5310459

COC(=O)Cn1c(C)c([N+](=O)[O-])c2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.44
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TACR1 P25103 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 2/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL5308455 0.80 MAPT (0.48) MAPTPTGDR2HSD17B10ALDH1A1HPGD
SCHEMBL1757609 0.80 MAPT (0.48) MAPTPTGDR2HSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5308453 0.79 MAPT (0.47) MAPTPTGDR2HSD17B10ALDH1A1TACR1
SCHEMBL5314252 0.77 PTGDR2 (0.47) MAPTPTGDR2ALDH1A1AKR1B1CA12
SCHEMBL5311262 0.74 PTGDR2 (0.47) MAPTPTGDR2ALDH1A1AKR1B1CA12
SCHEMBL5310070 0.74 CA12 (0.43) MAPTPTGDR2HSD17B10ALDH1A1AKR1B1
SCHEMBL5313784 0.73 USP2 (0.45) MAPTPTGDR2ALDH1A1TP53AKR1B1
SCHEMBL1757971 0.73 PTGDR2 (0.50) MAPTPTGDR2ALDH1A1TACR1HTT
SCHEMBL5307807 0.73 PTGDR2 (0.50) MAPTPTGDR2HSD17B10ALDH1A1HTT
SCHEMBL1758023 0.73 PTGDR2 (0.49) MAPTPTGDR2HSD17B10ALDH1A1LMNA

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
WO-2007045867-A1 3 -AMINOINDOLE COMPOUNDS AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2007-04-26 WO disclosed