SCHEMBL9564367

SCHEMBL9564367

CCNc1cc(-c2cccs2)on1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MEN1 O00255 10/20 0.52
KMT2A Q03164 10/20 0.52
ALDH1A1 P00352 6/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 4/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 3/20 0.47
ESR1 P03372 1/20 0.46
PLEC Q15149 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4282973 0.78 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12051092 0.77 THRB (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4140152 0.74 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL620758 0.73 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4278788 0.73 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4281968 0.73 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL15001259 0.72 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9911623 0.72 RAB9A (0.72) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20507129 0.72 KMT2A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9911642 0.72 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
EP-0563686-A1 Utilization of 3 substituted amino isoxazole derivatives against endoparasites, new 3 substituted amino isoxazols and process for their preparation BAYER AG (DE) 1993-10-06 EP disclosed