SCHEMBL8776039

SCHEMBL8776039

COc1cccc(NC(=O)N(O)CCCC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.53
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ALPL P05186 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TBXAS1 P24557 1/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
USP2 O75604 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
SCHEMBL8775982 0.96 CASR (0.51) CASRTSHRSMN1; SMN2THRBALDH1A1
SCHEMBL8775822 0.87 TBXAS1 (0.55) CASRSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL8775765 0.79 ROCK2 (0.48) CASRTSHRSMN1; SMN2THRBALDH1A1
SCHEMBL8776082 0.78 TBXAS1 (0.54) CASRSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL8775881 0.78 TBXAS1 (0.54) CASRALDH1A1LMNATBXAS1EPHX2
SCHEMBL8775850 0.77 TBXAS1 (0.48) SMN1; SMN2ALDH1A1MEN1LMNAMAPT
SCHEMBL8775820 0.76 TBXAS1 (0.52) ALDH1A1TBXAS1EPHX2
SCHEMBL8776013 0.74 TBXAS1 (0.56) CASRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8776092 0.74 TBXAS1 (0.58) CASRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL8775928 0.73 TBXAS1 (0.60) SMN1; SMN2LMNAHTTTBXAS1EPHX2

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-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed