SCHEMBL27344482

SCHEMBL27344482

Cc1cc(C)c2oc(N(C(N)=O)c3ccc(N(C)C)cc3)c(-c3ccccc3Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.37
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADK P55263 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
S1PR4 O95977 2/20 0.33
GRM2 Q14416 1/20 0.33
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL27318048 0.82 S1PR4 (0.37) MAPTS1PR4GRM2MAPK14
SCHEMBL27408657 0.77 S1PR4 (0.32) MAPTS1PR4MAPK14
SCHEMBL8196653 0.77 MAPT (0.44) KDM4ETDP1ALDH1A1GAAMAPT
SCHEMBL8197213 0.75 MCL1 (0.43) KDM4EALDH1A1MAPTHPGDCSNK2A2
SCHEMBL8199806 0.68 S1PR4 (0.41) MAPTHPGDTSHRSMN1; SMN2S1PR4
SCHEMBL8202256 0.67 S1PR4 (0.39) MAPTS1PR4CSNK2A2CSNK2BCSNK2A1
SCHEMBL27456487 0.67 SCN9A (0.40) GPBAR1KDM4EADKALDH1A1GAA
SCHEMBL8201679 0.66 S1PR4 (0.42) MAPTS1PR4
SCHEMBL27315659 0.66 THRB (0.38) KDM4ETDP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL8201682 0.64 RAB9A (0.43) KDM4ETDP1ALDH1A1GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051311-C N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 2000-04-12 CN disclosed
CN-1100417-A N-heteroaryl-n'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1995-03-22 CN disclosed