SCHEMBL170881

SCHEMBL170881

CCC(=O)c1cc(Oc2cccc(C)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LYN P07948 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
FFAR1 O14842 1/20 0.43
GRM5 P41594 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GCK P35557 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL168824 0.86 P2RX3 (0.45)
SCHEMBL9926359 0.84 LMNA (0.50) ALDH1A1LYNMAPTSMN1; SMN2LMNA
SCHEMBL257972 0.83 MAPT (0.48) ALDH1A1LYNMAPTSMN1; SMN2LMNA
SCHEMBL24310884 0.82 KDR (0.48) ALDH1A1LYNMAPTGRM5GCK
SCHEMBL167783 0.81 KDR (0.58) ALDH1A1LYN
SCHEMBL170730 0.81 HSD17B1 (0.50) ALDH1A1LYNMAPTSMN1; SMN2LMNA
SCHEMBL9926365 0.80 ALDH1A1 (0.44) ALDH1A1LYNMAPTSMN1; SMN2LMNA
SCHEMBL2643034 0.78 UHRF1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL30885027 0.78 UHRF1 (0.43) ALDH1A1MAPTSMN1; SMN2LMNATDP1
SCHEMBL31680842 0.78 PTGS2 (0.50) ALDH1A1SMN1; SMN2GRM5

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
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed