SCHEMBL9867893

SCHEMBL9867893

OC(c1ccccc1)c1ccc2[nH]nnc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 2/20 0.38
PIK3CA P42336 2/20 0.38
CHEK2 O96017 2/20 0.38
MLKL Q8NB16 3/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM5A P29375 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23680086 0.81
SCHEMBL13373326 0.74 SMN1; SMN2 (0.41) PRMT5SMN1; SMN2CHEK2MLKLHPGD
SCHEMBL242516 0.74 EIF4A3 (0.39) SMN1; SMN2MLKLHPGDKDM4E
SCHEMBL30462995 0.74 KIF11 (0.37)
Phenyl Ethanol SCHEMBL8646918 0.72 MLKL (0.38) SMN1; SMN2EGFRPIK3CAMLKLKDM4E
SCHEMBL19523306 0.71
SCHEMBL1363970 0.71 DYRK3 (0.54) HPGDKDM4E
SCHEMBL3725844 0.71 UGT2B7 (0.37) CHEK2MLKLKDM4E
Hydrochloric Acid SCHEMBL8635004 0.71 MLKL (0.47) PRMT5SMN1; SMN2EGFRPIK3CACHEK2
SCHEMBL24494646 0.71 L3MBTL1 (0.31) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed