SCHEMBL10550677

SCHEMBL10550677

CCC(=O)Nc1nc(COc2ccccc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.77
RAB9A P51151 4/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
LMNA P02545 6/20 0.65
HTT P42858 5/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
MAPT P10636 5/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 2/20 0.65
GAA P10253 2/20 0.60
PDE5A O76074 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57

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
SCHEMBL4871628 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL15427054 0.84 NPC1 (0.75) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL10548947 0.76 LMNA (0.59) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4726533 0.76 RAB9A (0.64) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL9677782 0.75 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL91572 0.75 RAB9A (0.66) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3405939 0.74 RAB9A (0.77) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL6796683 0.74 NPC1 (0.77) NPC1RAB9ASMN1; SMN2LMNAHTT
Acetic Acid SCHEMBL9385119 0.74 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL8402291 0.74 MAPT (0.73) NPC1RAB9ASMN1; SMN2LMNAMEN1

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-4826861-A MEDICAL BACTERICIDES OR FUNGICIDES ALBERT ROLAND, S.A. (FR) 1989-05-02 US disclosed