SCHEMBL9215944

SCHEMBL9215944

CC(C)N(CCSc1nc2cnccc2s1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
HTR2A P28223 1/20 0.49
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.43
ALOX5 P09917 5/20 0.42
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
STAT6 P42226 1/20 0.40
DRD2 P14416 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9217493 0.75 CYP1A2 (0.44) HTR1AHTR7HTR2ACYP1A2CYP2D6
SCHEMBL9211417 0.74 PDK1 (0.54) HTR1AHTR7HTR2ACYP1A2CYP2D6
SCHEMBL5847703 0.73 ALDH1A1 (0.47) HTR1AHTR7HTR2ACYP1A2CYP2D6
SCHEMBL10804962 0.72 SMN1; SMN2 (0.53) CYP1A2CYP2D6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9745202 0.70 HTR1A (0.55) HTR1AHTR7HTR2AALDH1A1SMN1; SMN2
SCHEMBL9216533 0.68 LATS1 (0.34) CYP2C9
SCHEMBL9214919 0.68 USP2 (0.47) CYP1A2CYP2D6ALDH1A1KDM4EHSD17B10
SCHEMBL9217936 0.68 CHRNB2 (0.41)
SCHEMBL9213491 0.67 ALOX5 (0.36) HTR1AHTR7HTR2AALDH1A1SMN1; SMN2
SCHEMBL9213780 0.67 MAPT (0.62) ALDH1A1HSD17B10CYP2C9HPGDLMNA

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-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP disclosed