SCHEMBL11047240

SCHEMBL11047240

CC#CCNc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.55
RAB9A P51151 12/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
IDO1 P14902 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.50
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
ADORA1 P30542 1/20 0.50
DYRK1A Q13627 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 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
SCHEMBL11016003 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL7597159 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL1913774 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL1664350 0.77 NPC1 (0.67) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL25057062 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2IDO1KMT2A
Hydrochloric Acid SCHEMBL2124383 0.75 NPC1 (0.65) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL16259088 0.75 HPGD (0.64) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL11059421 0.75 UBE2T (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL7109842 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2IDO1KMT2A
SCHEMBL1435770 0.74 IDO1 (0.57) NPC1RAB9ASMN1; SMN2IDO1KMT2A

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-4451557-A Photographic speed increasing and latent image stabilizing compounds, silver halide emulsions, and photographic elements EASTMAN KODAK COMPANY (US) 1984-05-29 US disclosed