SCHEMBL7054820

SCHEMBL7054820

CS(=O)(=O)c1ccccc1C[NH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1D P25100 4/20 0.38
CTSB P07858 1/20 0.38
LOX P28300 1/20 0.38
BCAT2 O15382 1/20 0.37
DRD2 P14416 1/20 0.37
MPO P05164 1/20 0.36
NR3C1 P04150 1/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1B P35368 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2024322 0.82 CTSB (0.53) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL567914 0.81 LOX (0.47) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1660031 0.81 LOX (0.47) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2043251 0.80 MEN1 (0.42) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6631819 0.79 MEN1 (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL507714 0.78 LOX (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL647187 0.78 MEN1 (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL506623 0.78 CYP2D6 (0.45) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1808793 0.78 MYC (0.44) CYP1A2CYP2D6CTSBSMN1; SMN2
SCHEMBL30569427 0.78 CYP2D6 (0.45) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed