SCHEMBL9384288

SCHEMBL9384288

COC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
ATM Q13315 1/20 0.52
SLC6A3 Q01959 2/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
SLC6A4 P31645 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL4318924 0.95 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9380930 0.93 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9382720 0.92 KMT2A (0.75) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9384430 0.90 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9380390 0.88 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL2976362 0.86 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9380566 0.85 HTT (0.65) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9380212 0.84 HTT (0.63) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL4306813 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL9380205 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1305070-A None JP disclosed
JP-63258467-A None JP disclosed
EP-0336494-B1 Triazine herbicides SHELL INT RESEARCH (NL) 1994-06-29 EP disclosed
US-5062882-A TRIAZINE HERBICIDES SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B. V. (NL) 1991-11-05 US disclosed
JP-H01305070-A TRIAZINE HERBICIDE SHELL INTERNATL RES MAATSCHAPPIJ BV 1989-12-08 JP disclosed
EP-0336494-A2 Triazine herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-11 EP disclosed
JP-S63258467-A 2-PHENOXYTRIAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEM IND CO LTD 1988-10-25 JP disclosed