SCHEMBL20246772

SCHEMBL20246772

C/C=C1\C(=O)Nc2ccc(OC)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
TLK2 Q86UE8 4/20 0.63
PDPK1 O15530 2/20 0.63
RET P07949 5/20 0.61
CDK2 P24941 4/20 0.61
CCNE1 P24864 2/20 0.61
CDK1 P06493 2/20 0.60
MAPK1 P28482 2/20 0.60
KDR P35968 2/20 0.60
GSK3A P49840 2/20 0.60
GSK3B P49841 2/20 0.60
CDK7 P50613 2/20 0.60
CDK9 P50750 2/20 0.60
CDK5 Q00535 2/20 0.60
LRRK2 Q5S007 1/20 0.60
PLK4 O00444 1/20 0.60
CHEK1 O14757 1/20 0.60
AURKA O14965 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60

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
SCHEMBL19928099 1.00 ALDH1A1 (0.66) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL10398623 0.84 ALDH1A1 (0.62) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL10398625 0.84 ALDH1A1 (0.62) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL14446692 0.82 CES1 (0.67) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL28369943 0.81 RET (0.68) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL29705973 0.81 RET (0.68) ALDH1A1TLK2PDPK1RETCDK2
5-Methoxyisatin SCHEMBL29506298 0.80 ALDH1A1 (1.00) ALDH1A1TLK2PDPK1RETLRRK2
5-Methoxyisatin SCHEMBL21602 0.80 ALDH1A1 (1.00) ALDH1A1TLK2PDPK1RETLRRK2
SCHEMBL17179569 0.79 TLK2 (0.64) ALDH1A1TLK2PDPK1RETCDK2
SCHEMBL29705833 0.79 GSK3B (0.66) ALDH1A1TLK2PDPK1RETCDK2

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-2892525-B1 METHODS OF TREATING MUSCULAR DYSTROPHY UNIV NEVADA RENO (US) 2018-06-13 EP disclosed