SCHEMBL9826933

SCHEMBL9826933

COc1cc2ccncc2c(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.63
TDO2 P48775 4/20 0.42
IDO1 P14902 3/20 0.42
ERN1 O75460 2/20 0.41
MAPT P10636 4/20 0.41
CYP2C9 P11712 2/20 0.41
CASP1 P29466 2/20 0.41
CYP2C19 P33261 2/20 0.41
CASP7 P55210 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL9827614 0.86 MAOA (0.53) MAOAERN1MAPTCYP2C9CASP1
SCHEMBL3247027 0.77 MAOA (1.00) MAOATDO2IDO1MAPTCYP3A4
SCHEMBL17193018 0.77 ADORA3 (0.44) MAOAMAPTKDM4ETDP1ALDH1A1
SCHEMBL7804786 0.76 MAOA (0.48) MAOATDO2IDO1MAPTCYP2C9
SCHEMBL15495283 0.76 MAOA (0.78) MAOAMAPTKDM4EMCL1CYP3A4
SCHEMBL9827753 0.76 DAO (0.44) MAOAERN1MAPTKDM4EPDGFRB
SCHEMBL6995500 0.75 ALDH1A1 (0.50) CYP2C9CYP2C19KDM4EMEN1ALDH1A1
SCHEMBL9826924 0.75 MAOA (0.61) MAOAERN1MAPTKDM4EMCL1
SCHEMBL6545110 0.74 NQO1 (0.50) ERN1MAPTCYP2C9CASP1CYP2C19
SCHEMBL4411993 0.74 MAOA (0.60) MAOAIDO1MAPTCYP2C9CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP disclosed