SCHEMBL9728941

SCHEMBL9728941

O=C(Nc1nc(=O)c2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.67
RAB9A P51151 12/20 0.67
PKM P14618 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MAOB P27338 3/20 0.67
ADORA2A P29274 3/20 0.67
SCD O00767 1/20 0.60
ADORA2B P29275 1/20 0.59
ADORA1 P30542 1/20 0.59
KLF5 Q13887 2/20 0.53
OPRK1 P41145 1/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50

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
SCHEMBL9729182 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL30387611 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9728922 0.89 NPC1 (0.70) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9728665 0.86 NPC1 (0.57) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9728959 0.86 RAB9A (0.72) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9728547 0.85 RAB9A (0.58) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9728432 0.84 NPC1 (0.56) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL7456210 0.82 LMNA (0.65) NPC1RAB9APKMSMN1; SMN2MAOB
SCHEMBL9729002 0.81 ALPL (0.51) NPC1RAB9APKMSMN1; SMN2KLF5
SCHEMBL3926899 0.80 NPC1 (1.00) NPC1RAB9APKMSMN1; SMN2MAOB

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