SCHEMBL6661039

SCHEMBL6661039

Cc1ccsc1CC(=O)ON

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
RIPK1 Q13546 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GSK3B P49841 1/20 0.40
ADRA1D P25100 2/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM6B O15054 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5C P41229 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1295475 0.84 ALOX5 (0.47) ALOX5RIPK1KDM4ECYP1A2MAPT
Hydrochloric Acid SCHEMBL27680687 0.82 ALOX5 (0.46) ALOX5RIPK1KDM4ECYP1A2MAPT
SCHEMBL8566289 0.79 ALOX5 (0.59) ALOX5RIPK1KDM4ECYP1A2CYP3A4
SCHEMBL27942083 0.79 ALOX5 (0.53) ALOX5RIPK1KDM4EGSK3BADRA1D
SCHEMBL1295399 0.77 ALOX5 (0.51) ALOX5RIPK1KDM4EGSK3BADRA1D
SCHEMBL8083280 0.77 KDM4E (0.44) ALOX5RIPK1KDM4ECYP1A2CYP3A4
SCHEMBL5281555 0.77 ALOX5 (0.42) ALOX5RIPK1KDM4EGSK3BADRA1D
SCHEMBL6627880 0.76 ALDH1A1 (0.43) ALOX5RIPK1KDM4ECYP1A2CYP3A4
SCHEMBL11173316 0.76 ALOX5 (0.50) ALOX5RIPK1KDM4EGSK3BADRA1D
SCHEMBL11433211 0.76 ALOX5 (0.50) ALOX5RIPK1KDM4EGSK3BADRA1D

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
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO disclosed