SCHEMBL8813445

SCHEMBL8813445

O=C1NC(Cc2cccc3c2ccn3Cc2ccc(C(F)(F)F)cc2)C(=O)S1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
ALDH1A1 P00352 3/20 0.38
GCGR P47871 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP1 P09874 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGS2 P35354 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL8810643 0.91 TACR1 (0.39) GCGRSMN1; SMN2MAPTPARP1KDM4E
SCHEMBL8809597 0.90 PARP1 (0.47) ALDH1A1SMN1; SMN2MAPTPARP1KDM4E
SCHEMBL8810754 0.89 PARP1 (0.41) HTR6ALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL8812580 0.88 TNF (0.37) HTR6MAPTPARP1KDM4EMPO
SCHEMBL8685833 0.87 HTR6 (0.43) HTR6ALDH1A1MPO
SCHEMBL8811167 0.87 HTR6 (0.53) HTR6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL8814121 0.87 PARP1 (0.41) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8811282 0.87 CHRNB2 (0.38) HTR6ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL8811933 0.87 HTR6 (0.41) HTR6MAPTPARP1MPO
SCHEMBL8808975 0.87 DAO (0.34) PARP1

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP claimed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed