SCHEMBL9926359

SCHEMBL9926359

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LYN P07948 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 1/20 0.44
GCK P35557 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL257972 0.87 MAPT (0.48) LMNAALDH1A1LYNGRM5GCK
SCHEMBL24310884 0.85 KDR (0.48) ALDH1A1LYNGRM5GCKMAPT
SCHEMBL18519134 0.84 KDR (0.48) LMNAMAPT
SCHEMBL167783 0.84 KDR (0.58) ALDH1A1LYN
SCHEMBL170730 0.84 HSD17B1 (0.50) LMNAALDH1A1LYNGRM5GCK
SCHEMBL170881 0.84 ALDH1A1 (0.45) LMNAALDH1A1LYNGRM5GCK
SCHEMBL9926365 0.83 ALDH1A1 (0.44) LMNAALDH1A1LYNGRM5GCK
SCHEMBL8736453 0.77 ALDH1A1 (0.53) LMNAALDH1A1LYNMEN1KMT2A
SCHEMBL23900111 0.77 HRH3 (0.50) LYNMEN1KMT2AGRM5
SCHEMBL6383415 0.77 KDR (0.47) ALDH1A1LYNMEN1KMT2AGRM5

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-1636585-B2 DIARYL UREAS WITH KINASE INHIBITING ACTIVITY BAYER HEALTHCARE LLC (US) 2012-06-13 EP disclosed