SCHEMBL10995149

SCHEMBL10995149

COc1ccccc1-c1nc(C)c(C(N)=O)s1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
IKBKB O14920 2/20 0.50
KDM4E B2RXH2 6/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.48
AHR P35869 1/20 0.48
HTR2C P28335 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL3436652 0.87 SMN1; SMN2 (0.61) CYP1A2KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL10997300 0.83 LMNA (0.60) LMNAKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL10997936 0.80 PTGDR2 (0.54) CYP1A2KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL27858909 0.80 SMN1; SMN2 (0.63) CYP1A2LMNACYP3A4CYP2C19KDM4E
SCHEMBL27589478 0.78 ALDH1A1 (0.51) CYP1A2LMNACYP3A4CYP2C19KDM4E
SCHEMBL14960096 0.78 ALDH1A1 (0.58) CYP1A2KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL19019993 0.78 KDM4E (0.48) CYP1A2KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL10994224 0.78 LMNA (0.54) CYP1A2LMNACYP3A4CYP2C19KDM4E
SCHEMBL10993405 0.77 PTGDR2 (0.48) CYP1A2LMNAKDM4ERAB9AALDH1A1
SCHEMBL289862 0.76 APP (0.55) CYP1A2KDM4ERAB9AALDH1A1SMN1; SMN2

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-0051409-B1 2-(SUBSTITUTED-PHENYL)-THIAZOLE DERIVATIVES SUITABLE FOR PEPTIC ULCER TREATMENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-03-21 EP claimed
EP-0051409-A1 2-(Substituted-phenyl)-thiazole derivatives suitable for peptic ulcer treatment KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-05-12 EP claimed
US-4558059-A ANTI-PEPTIC ULCER AGNET KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-12-10 US disclosed
EP-0051409-B1 2-(SUBSTITUTED-PHENYL)-THIAZOLE DERIVATIVES SUITABLE FOR PEPTIC ULCER TREATMENT KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-03-21 EP disclosed
EP-0051409-A1 2-(Substituted-phenyl)-thiazole derivatives suitable for peptic ulcer treatment KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-05-12 EP disclosed