SCHEMBL16147671

SCHEMBL16147671

O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)O)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.61
MAPT P10636 8/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPK1 P28482 4/20 0.57
GFER P55789 2/20 0.57
TDP1 Q9NUW8 5/20 0.55
POLB P06746 3/20 0.55
L3MBTL1 Q9Y468 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HCAR3 P49019 1/20 0.53
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NSD2 O96028 1/20 0.52
GAA P10253 1/20 0.52
APEX1 P27695 1/20 0.52
APOBEC3A P31941 1/20 0.52
RECQL P46063 1/20 0.52
CASP6 P55212 1/20 0.52

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
SCHEMBL108329 1.00 NT5E (0.61) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL141078 0.99 NT5E (0.60) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL141080 0.99 NT5E (0.60) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL141081 0.99 NT5E (0.60) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL7820869 0.89 NT5E (0.67) NT5EMAPTMEN1KMT2AGFER
SCHEMBL112129 0.88 TDP1 (0.62) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL456694 0.88 TDP1 (0.62) NT5EMAPTMEN1KMT2AMAPK1
SCHEMBL141079 0.88 MAPT (0.57) MAPTMEN1KMT2AMAPK1GFER
SCHEMBL29357322 0.88 MAPT (0.57) MAPTMEN1KMT2AMAPK1GFER
SCHEMBL13588699 0.87 TDP1 (0.54) NT5EMAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289667-A1 Targeting Macrophages to Modulate Electrical Conduction in the Heart THE GENERAL HOSPITAL CORPORATION 2020-09-17 US claimed
US-20190054184-A1 Targeting Macrophages to Modulate Electrical Conduction in the Heart THE GENERAL HOSPITAL CORPORATION 2019-02-21 US claimed
WO-2017139757-A1 TARGETING MACROPHAGES TO MODULATE ELECTRICAL CONDUCTION IN THE HEART THE GENERAL HOSPITAL CORPORATION (US) 2017-08-17 WO claimed
CN-112368441-B Functionalized fibrous material HBI品牌服饰企业有限公司 2022-12-30 CN disclosed
US-20200289667-A1 Targeting Macrophages to Modulate Electrical Conduction in the Heart THE GENERAL HOSPITAL CORPORATION 2020-09-17 US disclosed
US-20190054184-A1 Targeting Macrophages to Modulate Electrical Conduction in the Heart THE GENERAL HOSPITAL CORPORATION 2019-02-21 US disclosed
US-10064842-B2 KCNQ channels as therapeutic targets WASHINGTON UNIVERSITY (US) 2018-09-04 US disclosed
WO-2017139757-A1 TARGETING MACROPHAGES TO MODULATE ELECTRICAL CONDUCTION IN THE HEART THE GENERAL HOSPITAL CORPORATION (US) 2017-08-17 WO disclosed
US-20160228411-A1 KCNQ CHANNELS AS THERAPEUTIC TARGETS WASHINGTON UNIVERSITY (US) 2016-08-11 US disclosed
US-9345688-B2 KCNQ channels as therapeutic targets WASHINGTON UNIVERSITY (US) 2016-05-24 US disclosed
US-20140303226-A1 KCNQ CHANNELS AS THERAPEUTIC TARGETS WASHINGTON UNIVERSITY (US) 2014-10-09 US disclosed