SCHEMBL2029700

SCHEMBL2029700

CCc1ccccc1N(CCCC(=O)N(CC)CC)C(=O)c1ccc([S+]([O-])c2nccs2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 6/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 3/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
VDR P11473 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8307242 0.81 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8300946 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL2029141 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL31335570 0.75 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8302742 0.67 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8306053 0.65 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8306989 0.64 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8304839 0.63 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL8301531 0.63 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL28251197 0.63 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998056779-A1 4-SULFINYL BENZAMIDES AS CALCITONIN GENE-RELATED PEPTIDE RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-17 WO claimed
US-20230181693-A1 METHODS OF TREATING INFLAMMATORY SKIN DISORDERS NEPSONE EHF (IS) 2023-06-15 US disclosed
US-11433119-B2 Methods of treating inflammatory skin disorders NEPSONE EHF (IS) 2022-09-06 US disclosed
US-11266718-B2 Methods of treating inflammatory skin disorders NEPSONE EHF (IS) 2022-03-08 US disclosed
US-20200338168-A1 METHODS OF TREATING INFLAMMATORY SKIN DISORDERS NEPSONE EHF (IS) 2020-10-29 US disclosed
US-20200338170-A1 METHODS OF TREATING INFLAMMATORY SKIN DISORDERS NEPSONE EHF (IS) 2020-10-29 US disclosed
US-10668132-B2 Use of CGRP antagonist compounds for treatment of psoriasis NEPSONE EHF (IS) 2020-06-02 US disclosed
US-20170065681-A1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS NEPSONE EHF (IS) 2017-03-09 US disclosed
US-9585940-B2 Use of CGRP antagonist compounds for treatment of psoriasis BIRKIR SVEINSSON (IS) 2017-03-07 US disclosed
US-20140220030-A1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS SVEINSSON, BIRKIR (IS) 2014-08-07 US disclosed
US-20110150890-A1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS SVEINSSON BIRKIR 2011-06-23 US disclosed
EP-1556020-B1 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS ACTAVIS GROUP HF (IS) 2009-02-25 EP disclosed
EP-1556020-A2 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS Sveinsson, Birkir (IS) 2005-07-27 EP disclosed
EP-1495059-A1 LOW MOLECULAR WEIGHT COPOLYMER OF ETHYLENE AND VINYL AROMATIC MONOMER AND USES THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2005-01-12 EP disclosed
WO-2004014351-A2 USE OF CGRP ANTAGONIST COMPOUNDS FOR TREATMENT OF PSORIASIS SVEINSSON BIRKIR (IS) 2004-02-19 WO disclosed
WO-2003087178-A1 LOW MOLECULAR WEIGHT COPOLYMER OF ETHYLENE AND VINYL AROMATIC MONOMER AND USES THEREOF DOW GLOBAL TECHNOLOGIES INC. (US) 2003-10-23 WO disclosed
WO-1998056779-A1 4-SULFINYL BENZAMIDES AS CALCITONIN GENE-RELATED PEPTIDE RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-17 WO disclosed