SCHEMBL9744829

SCHEMBL9744829

O=[N+]([O-])c1ccc2sc(SCCN3CCOCC3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.52
AHR P35869 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TMEM97 Q5BJF2 2/20 0.47
CTSB P07858 1/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
PDK1 Q15118 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL9742816 0.82 TMEM97 (0.50) ALDH1A1MAPK1SMN1; SMN2TMEM97GAA
SCHEMBL9743754 0.82 TMEM97 (0.68) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL9744708 0.79 ALOX5 (0.51) ALDH1A1LMNAKMT2AMAPK1TMEM97
SCHEMBL9743960 0.79 ALDH1A1 (0.56) ALDH1A1MAPTLMNAAHRKMT2A
SCHEMBL9214919 0.76 USP2 (0.47) ALDH1A1LMNAMAPK1TMEM97GAA
SCHEMBL9744032 0.75 TMEM97 (0.56) ALDH1A1MAPTLMNAKMT2ATMEM97
SCHEMBL9476341 0.75 ALDH1A1 (0.57) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8133629 0.73 MAPT (0.55) ALDH1A1MAPTLMNAKMT2AMAPK1
SCHEMBL2708797 0.72 PDK1 (0.60) ALDH1A1MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL521706 0.71 MAPT (0.54) ALDH1A1MAPTLMNAAHRKMT2A

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-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed