SCHEMBL9728547

SCHEMBL9728547

O=C(Nc1nc(=O)c2cc3ccccc3cc2[nH]1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.58
NPC1 O15118 12/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
PKM P14618 5/20 0.58
MAOB P27338 3/20 0.58
ADORA2A P29274 3/20 0.58
SCD O00767 1/20 0.53
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
OPRK1 P41145 1/20 0.47
KLF5 Q13887 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL9728941 0.85 NPC1 (0.67) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728483 0.84 SMN1; SMN2 (0.68) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728432 0.83 NPC1 (0.56) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL30387611 0.75 NPC1 (0.70) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9729182 0.75 NPC1 (0.70) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728922 0.75 NPC1 (0.70) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728591 0.75 NPC1 (0.59) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728665 0.74 NPC1 (0.57) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL9728959 0.74 RAB9A (0.72) RAB9ANPC1SMN1; SMN2PKMMAOB
SCHEMBL3926899 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMMAOB

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