SCHEMBL5220085

SCHEMBL5220085

Cc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL5212651 0.85 ATM (0.41) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL5212662 0.85 ATM (0.41) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL5675509 0.85 ALDH1A1 (0.42) VDRALDH1A1MEN1KMT2ANPSR1
SCHEMBL5675513 0.85 ALDH1A1 (0.42) VDRALDH1A1MEN1KMT2ANPSR1
SCHEMBL6181231 0.84 VDR (0.52) VDRALDH1A1MEN1KMT2ANPSR1
SCHEMBL5672551 0.81 VDR (0.39) VDRMEN1KMT2ANPSR1CYP1A2
SCHEMBL5673931 0.80 ALDH1A1 (0.42) VDRALDH1A1MAPTAGTR1AGTR2
SCHEMBL5673966 0.80 S1PR1 (0.49) VDRALDH1A1MEN1KMT2ANPSR1
SCHEMBL6181320 0.80 VDR (0.52) VDRALDH1A1MEN1KMT2ANPSR1
SCHEMBL5673979 0.80 VDR (0.38) VDRALDH1A1MEN1KMT2ANPSR1

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