SCHEMBL10413733

SCHEMBL10413733

CN(C)c1cccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.54
▸ TBXA2R P21731 6/20 0.48
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ BAZ1A Q9NRL2 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL10413185 0.87 NT5E (0.64) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL7820869 0.82 NT5E (0.67) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL10706036 0.82 NT5E (0.71) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL19241672 0.80 MAPT (0.72) MAPTMEN1KMT2ABAZ1AABCG2
SCHEMBL8044728 0.78 NT5E (0.68) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL11104382 0.77 NT5E (0.70) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL10881471 0.76 NT5E (0.66) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL11110261 0.76 NT5E (0.69) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL16147671 0.75 NT5E (0.61) NT5ETBXA2RMAPTMEN1KMT2A
SCHEMBL108329 0.75 NT5E (0.61) NT5ETBXA2RMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900327-A WATER SOLUBLE, WASHFAST HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-13 — — US claimed
US-4900327-A WATER SOLUBLE, WASHFAST HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-02-13 — — US disclosed
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