SCHEMBL9435377

SCHEMBL9435377

C=CCn1cnc2c(OCc3ccccc3)nc(NC(=O)OCc3ccccc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DAPK1 P53355 1/20 0.41
POLB P06746 1/20 0.39
TGM2 P21980 2/20 0.38
SCD O00767 1/20 0.37
MAP3K5 Q99683 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGMT P16455 1/20 0.36

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
SCHEMBL8610343 0.80 ALDH1A1 (0.47) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL7852208 0.80 HDAC1 (0.43) NPC1RAB9APOLBHDAC1HDAC2
SCHEMBL3818243 0.77 RAB9A (0.41) NPC1RAB9ASMN1; SMN2POLBSCD
SCHEMBL7843904 0.77 SCD (0.43) NPC1RAB9ASMN1; SMN2POLBSCD
SCHEMBL14643905 0.75 TLR9 (0.52) NPC1RAB9ASMN1; SMN2DAPK1HDAC1
SCHEMBL13074308 0.71 CDK1 (0.42) NPC1RAB9ASMN1; SMN2POLBSCD
SCHEMBL3823809 0.71 RAB9A (0.43) NPC1RAB9AHPGDSMN1; SMN2SCD
SCHEMBL25500749 0.71 CDK5 (0.40) DAPK1HDAC1HDAC2MGMT
SCHEMBL8340777 0.71 DAPK1 (0.46) NPC1RAB9AHPGDDAPK1ALDH1A1
SCHEMBL13074309 0.71 SCD (0.39) NPC1RAB9ASMN1; SMN2POLBSCD

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
EP-0618923-A1 PEPTIDE NUCLEIC ACIDS AND THEIR EFFECT ON GENETIC MATERIAL GLAXO WELLCOME INC. (US) 1994-10-12 EP disclosed
WO-1993012129-A1 PEPTIDE NUCLEIC ACIDS AND THEIR EFFECT ON GENETIC MATERIAL GLAXO INC. (US) 1993-06-24 WO disclosed