SCHEMBL9115645

SCHEMBL9115645

COC(=O)c1ccc(Cl)c2c(OC)csc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
NR4A2 P43354 1/20 0.40
ALDH1A1 P00352 6/20 0.39
LMNA P02545 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 7/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MAPT P10636 4/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL9118325 0.87 CLCN2 (0.41) ALDH1A1HTTKDM4EHPGDMEN1
SCHEMBL9237198 0.87 ABCG2 (0.33) GAAALDH1A1LMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL9237204 0.85 CLCN2 (0.40) ALDH1A1HTTKDM4EHPGDMEN1
SCHEMBL9237893 0.79 MAPT (0.34) ALDH1A1LMNAL3MBTL1HPGDSMN1; SMN2
SCHEMBL6185512 0.77 CHEK1 (0.43) GAAALDH1A1LMNAL3MBTL1ABL1
SCHEMBL9117007 0.72 NR4A2 (0.40) GAANR4A2ALDH1A1LMNAL3MBTL1
SCHEMBL18384563 0.72 KDM4E (0.42) GAAALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL11263344 0.69 CLCN2 (0.41) ALDH1A1HTTKDM4EHPGDMEN1
SCHEMBL20607510 0.67 CHEK1 (0.47) GAAALDH1A1LMNAABL1KDM4E
SCHEMBL27362505 0.67 ABL1 (0.50) GAANR4A2ALDH1A1LMNAL3MBTL1

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
WO-1995025105-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-09-21 WO disclosed