SCHEMBL6181220

SCHEMBL6181220

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.50
TSHR P16473 2/20 0.43
PPARG P37231 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 3/20 0.39
JAK2 O60674 1/20 0.37
TP53 P04637 1/20 0.37

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 0.87 VDR (0.52) VDRTSHRPPARGHPGDALDH1A1
SCHEMBL6180604 0.83 TBXA2R (0.45) VDRTSHRPPARGHPGDALDH1A1
SCHEMBL6180601 0.83 TBXA2R (0.45) VDRTSHRPPARGHPGDALDH1A1
SCHEMBL5672575 0.82 VDR (0.39) VDRTSHRPPARGHPGDNPSR1
SCHEMBL6181320 0.81 VDR (0.52) VDRTSHRPPARGHPGDALDH1A1
SCHEMBL5673830 0.80 PPARG (0.38) VDRPPARGL3MBTL1
SCHEMBL5672551 0.80 VDR (0.39) VDRTSHRPPARGHPGDCYP1A2
SCHEMBL7505827 0.79 HSP90AA1 (0.39) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3204053 0.76 HPGD (0.52) VDRTSHRHPGDALDH1A1NPSR1
SCHEMBL5212816 0.74 VDR (0.39) VDRTSHRPPARGHPGDALDH1A1

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