SCHEMBL5212816

SCHEMBL5212816

Cc1nc(Cl)c(C=O)n1Cc1ccc(I)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.39
IDO1 P14902 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL5215839 0.85 VDR (0.38) VDRIDO1TSHRAGTR1AGTR2
SCHEMBL5672551 0.85 VDR (0.39) VDRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5215694 0.83 TBXA2R (0.35) VDRIDO1CYP1A2CYP2C19MEN1
SCHEMBL5673979 0.82 VDR (0.38) VDRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5220085 0.81 VDR (0.42) VDRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5672549 0.81 TRAP1 (0.40) VDRPPARGALDH1A1KDM4EHSP90B1
SCHEMBL5675509 0.81 ALDH1A1 (0.42) VDRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5673814 0.81 MEN1 (0.43) NPSR1MEN1KMT2ADCTPP1SMN1; SMN2
SCHEMBL5675513 0.81 ALDH1A1 (0.42) VDRNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5674041 0.79 ALDH1A1 (0.37) VDRNPSR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142879-B1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-1142879-A1 IMIDAZOLE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed