SCHEMBL9509837

SCHEMBL9509837

COc1cc2c(cc1OC)C(C)N(C(=O)C(Cl)Cl)CC2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
KMT2A Q03164 5/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
KDM4E B2RXH2 1/20 0.58
HTT P42858 4/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 2/20 0.55
MAOA P21397 1/20 0.55
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53

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
SCHEMBL22970639 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL7619697 0.78 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL9509170 0.77 KMT2A (0.45) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL22782437 0.76 SMN1; SMN2 (0.83) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL2138396 0.75 DRD1 (0.59) NPC1NPSR1
SCHEMBL23054191 0.75 HTT (0.67) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL22782522 0.75 KMT2A (0.70) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL22275084 0.74 KMT2A (0.80) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL19057432 0.74 MAOA (0.67) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL1219835 0.73 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP claimed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP claimed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP disclosed