SCHEMBL5813403

SCHEMBL5813403

O=C(O)Nn1cnc2cnc3ccccc3c21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
USP5 P45974 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4756322 0.80 NPC1 (0.44) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3817799 0.75 CA12 (0.38) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL4756216 0.75 LRRK2 (0.40) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL204727 0.74 ALOX15 (0.64) SMN1; SMN2NPC1RAB9AKMT2AHTT
SCHEMBL9602642 0.74 APP (0.46) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL4754583 0.74 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1HTTLMNA
SCHEMBL4700457 0.73 LMNA (0.42) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL204996 0.73 KDM4E (0.42) SMN1; SMN2RAB9AALDH1A1HSD17B10USP5
SCHEMBL4759465 0.72 POLB (0.45) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL4759468 0.71 USP5 (0.44) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed