SCHEMBL28060147

SCHEMBL28060147

Cc1ccc(O)c(N)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKMYT1 Q99640 13/20 0.42
WEE1 P30291 4/20 0.42
MYT1 Q01538 2/20 0.42
EPHB3 P54753 2/20 0.40
CDK1 P06493 1/20 0.40
CREBBP Q92793 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL17829704 0.85 POLB (0.41) PKMYT1WEE1MYT1TSHRPDE10A
SCHEMBL28126588 0.83 THRB (0.45) TSHRCASP1PDE10AGAAGFER
SCHEMBL31307651 0.79 POLB (0.48) PKMYT1WEE1MYT1TSHRGAA
SCHEMBL6739501 0.78 POLB (0.43) PKMYT1WEE1EPHB3CDK1TSHR
SCHEMBL17825685 0.78 POLB (0.36) PKMYT1WEE1MYT1GAAPOLB
SCHEMBL30788037 0.77 THRB (0.52) TSHRHSD17B10
SCHEMBL3713424 0.77 THRB (0.52) TSHRHSD17B10
SCHEMBL206143 0.75 DPP4 (0.42) PKMYT1WEE1CDK1TSHRHSD17B10
SCHEMBL27551460 0.74 TDP1 (0.42) PKMYT1WEE1MYT1TSHRCASP1
SCHEMBL1334612 0.73 POLB (0.42) PKMYT1WEE1MYT1CDK1CREBBP

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
CN-105492078-A Method for evaluating hair color change UNILEVER NV 2016-04-13 CN disclosed