SCHEMBL11655113

SCHEMBL11655113

CC(=O)CC(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.59
▸ TBXA2R P21731 7/20 0.50
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH3A1 P30838 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.43

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
SCHEMBL8044728 0.82 NT5E (0.68) NT5ETBXA2RKMT2AMEN1MAPT
SCHEMBL2032113 0.79 NT5E (0.85) NT5ETBXA2RKMT2AMEN1MAPT
SCHEMBL7820869 0.79 NT5E (0.67) NT5ETBXA2RKMT2AMEN1MAPT
SCHEMBL10413185 0.79 NT5E (0.64) NT5ETBXA2RKMT2AALDH3A1MEN1
SCHEMBL23811 0.78 KMT2A (0.62) CA1CA2CA4CA7KMT2A
SCHEMBL10413731 0.77 NT5E (0.59) NT5ETBXA2RKMT2AMEN1MAPT
SCHEMBL29402870 0.76 ALDH1A1 (0.51) CA1CA2CA4CA7KMT2A
SCHEMBL10704337 0.76 ALDH1A1 (0.51) CA1CA2CA4CA7KMT2A
SCHEMBL11104382 0.76 NT5E (0.70) NT5ETBXA2RKMT2AMEN1MAPT
SCHEMBL10881471 0.75 NT5E (0.66) NT5ETBXA2RKMT2AMEN1MAPT

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-4113719-A 1:2-Cobalt-complex azo dyestuffs having an acetoacetylamino diphenylamino coupler HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
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