SCHEMBL11565909

SCHEMBL11565909

CCOC(=O)c1ccccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NR1H4 Q96RI1 1/20 0.52
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALOX15 P16050 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL11559978 0.92 MEN1 (0.57) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL11732334 0.89 NPC1 (0.60) MAPTMEN1KMT2ANR1H4NPSR1
SCHEMBL11563665 0.85 NPC1 (0.64) MAPTNPSR1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11399360 0.83 KDM4E (0.56) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL11738404 0.82 NPC1 (0.53) MAPTMEN1KMT2ANR1H4NPSR1
SCHEMBL11446766 0.82 MAOB (0.51) MAPTMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL11553641 0.80 NPSR1 (0.56) MAPTMEN1KMT2ANR1H4NPSR1
SCHEMBL14150071 0.80 NPC1 (0.57) MAPTMEN1KMT2ANR1H4NPSR1
SCHEMBL31660436 0.79 NPC1 (0.78) MAPTMEN1KMT2ANR1H4SMN1; SMN2
SCHEMBL26092403 0.79 NPC1 (0.78) MAPTMEN1KMT2ANR1H4SMN1; SMN2

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
US-4166732-A Oxadiazol-5-yl-benzoates MONSANTO COMPANY (US) 1979-09-04 US disclosed