SCHEMBL5673979

SCHEMBL5673979

CSc1ccc(Cn2c(C)nc(Cl)c2C=O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
DCTPP1 Q9H773 2/20 0.32
KDM4E B2RXH2 3/20 0.31
P2RX7 Q99572 1/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL6181231 0.85 VDR (0.52) VDRCYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL5673891 0.84 MAPT (0.38) MAPTCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL5673896 0.84 MAPT (0.38) MAPTCYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL5672551 0.82 VDR (0.39) VDRCYP1A2CYP2C19CYP2D6NPC1
SCHEMBL5672549 0.80 TRAP1 (0.40) VDRALDH1A1PPARGKDM4EP2RX7
SCHEMBL5675509 0.79 ALDH1A1 (0.42) VDRMAPTCYP1A2CYP2C19CYP2D6
SCHEMBL5673814 0.79 MEN1 (0.43) NPC1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL5675513 0.79 ALDH1A1 (0.42) VDRMAPTCYP1A2CYP2C19CYP2D6
SCHEMBL5674041 0.77 ALDH1A1 (0.37) VDRMAPTCYP1A2CYP2C19CYP2D6
SCHEMBL5672914 0.76 NPC1 (0.40) MAPTALDH1A1NPC1

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
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