SCHEMBL6089226

SCHEMBL6089226

Clc1ccccc1CNc1cccc(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAP4K4 O95819 1/20 0.49
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GPR39 O43194 1/20 0.43
PDE5A O76074 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL959935 0.83 SLC2A1 (0.49) POLBNPSR1HDAC1HDAC6GPR39
SCHEMBL2041332 0.81 NPSR1 (0.68) ALDH1A1TP53HSD17B10NPSR1MEN1
SCHEMBL2599927 0.81 POLB (0.50) POLBALDH1A1MAP4K4TP53HSD17B10
SCHEMBL7531482 0.78 NPSR1 (0.46) ALDH1A1HSD17B10NPSR1MEN1LMNA
SCHEMBL1267632 0.77 ALDH1A1 (0.50) POLBALDH1A1MAP4K4TP53HSD17B10
SCHEMBL31240581 0.76 FABP1 (0.55) POLBALDH1A1MAP4K4MEN1LMNA
SCHEMBL1666510 0.75 KDM4E (0.57) POLBALDH1A1MAP4K4GPR39MEN1
SCHEMBL29579775 0.75 ALDH1A1 (0.65) POLBALDH1A1MAP4K4HSD17B10NPSR1
SCHEMBL34462729 0.74 MAP4K4 (0.52) POLBALDH1A1MAP4K4TP53HSD17B10
SCHEMBL2599917 0.73 PKM (0.68) POLBALDH1A1MAP4K4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006021848-A1 ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-02 WO disclosed