SCHEMBL8833334

SCHEMBL8833334

CCc1cnc([N]C(=O)c2cccnc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL8833640 0.87 CCNE1 (0.46) NPC1SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL8834453 0.78 SMN1; SMN2 (0.43) POLBLMNANPC1SMN1; SMN2KMT2A
SCHEMBL8834630 0.75 CCNE1 (0.40) POLBLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL8833431 0.73 CCNE1 (0.41) LMNANPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8834125 0.71 FDPS (0.37) SMN1; SMN2KMT2AALDH1A1HTT
SCHEMBL4186314 0.69 GAA (0.59) LMNAKMT2AALDH1A1GAAAPP
SCHEMBL27764010 0.69 ALDH1A1 (0.59) LMNAKMT2AALDH1A1GAAAPP
SCHEMBL28527736 0.69 ALDH1A1 (0.50) LMNANPC1SMN1; SMN2KMT2ARAB9A
SCHEMBL8833591 0.69 SMN1; SMN2 (0.38) LMNASMN1; SMN2RAB9ATSHR
SCHEMBL2000039 0.69 ALDH1A1 (0.63) LMNANPC1RAB9AALDH1A1GAA

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-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed