SCHEMBL10413185

SCHEMBL10413185

CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.64
▸ ALDH3A1 P30838 1/20 0.52
▸ TBXA2R P21731 6/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 5/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ BAZ1A Q9NRL2 1/20 0.48
▸ RAPGEF4 Q8WZA2 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL10413733 0.87 NT5E (0.54) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL8044728 0.86 NT5E (0.68) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL10413731 0.83 NT5E (0.59) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL2032113 0.83 NT5E (0.85) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL7820869 0.83 NT5E (0.67) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL11104382 0.80 NT5E (0.70) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL10881471 0.79 NT5E (0.66) NT5ETBXA2RMEN1KMT2AMAPT
SCHEMBL11655113 0.79 NT5E (0.59) NT5EALDH3A1TBXA2RMEN1KMT2A
SCHEMBL10414557 0.79 ALDH3A1 (0.72) ALDH3A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11110261 0.79 NT5E (0.69) NT5ETBXA2RMEN1KMT2AMAPT

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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