SCHEMBL7123482

SCHEMBL7123482

CCc1c(C(C)(C)C)[nH]c(CNc2cc(OC)c(OC)c(OC)c2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
DHFR P00374 2/20 0.38
ACHE P22303 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL2227896 0.75 TUBB4A (0.53) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL7119112 0.71 TUBB4A (0.49) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12963403 0.66 TUBB1 (0.58) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12933316 0.66 TUBB4A (0.54) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL2759516 0.66 PTGS2 (0.54) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12932837 0.65 PTGS2 (0.44) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL3636265 0.65 DHFR (0.43) MEN1ALDH1A1MAPTKMT2ATDP1
Hydrochloric Acid SCHEMBL27871982 0.65 PTGS2 (0.52) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12963511 0.63 TUBB4A (0.47) MEN1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12963092 0.63 PTGS2 (0.50) MEN1ALDH1A1MAPTKMT2ATDP1

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-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed