SCHEMBL9728959

SCHEMBL9728959

COc1ccc(C(=O)Nc2nc(=O)c3ccccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
NPC1 O15118 8/20 0.72
PKM P14618 4/20 0.72
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
ESR1 P03372 1/20 0.56
KLF5 Q13887 2/20 0.55
ADORA3 P0DMS8 2/20 0.55
PARP14 Q460N5 1/20 0.55
MAOB P27338 1/20 0.54
ADORA2A P29274 1/20 0.54
OPRK1 P41145 1/20 0.52
TP53 P04637 1/20 0.52
MTOR P42345 1/20 0.52
STK33 Q9BYT3 1/20 0.52
F10 P00742 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL9728922 0.86 NPC1 (0.70) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL9728941 0.86 NPC1 (0.67) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL11207978 0.84 RAB9A (1.00) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL30387611 0.84 NPC1 (0.70) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL9729182 0.84 NPC1 (0.70) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL9728665 0.78 NPC1 (0.57) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL7456210 0.77 LMNA (0.65) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL9728483 0.77 SMN1; SMN2 (0.68) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL6257175 0.77 KMT2A (0.69) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL9729002 0.76 ALPL (0.51) RAB9ANPC1PKMKMT2AMEN1

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-5084457-A Cognition activators and nervous system disorders AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed