SCHEMBL8554208

SCHEMBL8554208

CC[CH]c1ncccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.51
PLAU P00749 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PDE10A Q9Y233 1/20 0.41
SYK P43405 2/20 0.39
GRM5 P41594 2/20 0.38

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
SCHEMBL5641184 0.82 NFE2L2 (0.53) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL4082035 0.80 NFE2L2 (0.51) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL2084338 0.80 NFE2L2 (0.55) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL4378934 0.80 NFE2L2 (0.51) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL5765086 0.79 NFE2L2 (0.51) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL9000315 0.78 NFE2L2 (0.58) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL15157538 0.78 NFE2L2 (0.47) NFE2L2PLAURAB9ANPC1SMN1; SMN2
SCHEMBL29416506 0.76 NFE2L2 (0.48) NFE2L2PLAUPDGFRBPDGFRARAB9A
SCHEMBL6765340 0.75 NOS3 (0.45) PLAURAB9ANPC1LMNAL3MBTL1
SCHEMBL27220459 0.74 NFE2L2 (0.50) NFE2L2PLAURAB9ANPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed