SCHEMBL6180454

SCHEMBL6180454

Cc1ncc(C=O)n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
HTT P42858 3/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6181739 0.83 TBXA2R (0.46) VDRSMN1; SMN2CYP1A2CYP2C9HTT
SCHEMBL6181745 0.83 TBXA2R (0.46) VDRSMN1; SMN2CYP1A2CYP2C9HTT
SCHEMBL5673965 0.80 THRB (0.38) L3MBTL1
SCHEMBL3215499 0.79 VDR (0.49) VDRSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6181480 0.77
SCHEMBL6181485 0.77
SCHEMBL6181231 0.76 VDR (0.52) VDRSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6104023 0.74 ALDH1A1 (0.54) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL2361081 0.74 CYP3A4 (0.46) SMN1; SMN2CYP2C19HTTCYP2D6TSHR
SCHEMBL6181220 0.74 VDR (0.50) VDRSMN1; SMN2CYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000932-B9 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-28 EP disclosed
EP-1000932-B1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2004-09-15 EP disclosed
US-6242474-B1 SULFONYLCARBAMOYLALKYLIMIDAZOLE DERIVATIVES; ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-1000932-A1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-17 EP disclosed