SCHEMBL11399360

SCHEMBL11399360

CCOC(=O)c1ccccc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
THRB P10828 1/20 0.51
HTT P42858 2/20 0.49
HSD17B10 Q99714 4/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.46
KDR P35968 1/20 0.46
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
XPO1 O14980 1/20 0.44
ADCY1 Q08828 1/20 0.43

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
SCHEMBL11400310 0.88 KDM4E (0.60) KDM4EMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL11385712 0.84 KDM4E (0.62) KDM4EMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL11807971 0.84 SMN1; SMN2 (0.60) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11565909 0.83 MAPT (0.53) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL24073573 0.83 MAPT (0.56) KDM4EMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL25181641 0.82 KDM4E (0.60) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL11446766 0.79 MAOB (0.51) KDM4EMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL11559978 0.79 MEN1 (0.57) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11616867 0.77 TSHR (0.50) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29158618 0.75 KMT2A (0.55) KDM4EMAPTSMN1; SMN2NPC1RAB9A

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-4268299-A ESPECIALLY SOYBEANS MONSANTO COMPANY (US) 1981-05-19 US disclosed
US-4210762-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1980-07-01 US disclosed