SCHEMBL7662979

SCHEMBL7662979

CCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)c2c3c(ccc2n1)OCO3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TGFBR1 P36897 1/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
ADORA3 P0DMS8 3/20 0.43
ADORA1 P30542 3/20 0.43
FAAH O00519 1/20 0.43
CLK1 P49759 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7662426 0.86 ADORA3 (0.43) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL7658421 0.82 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL7655836 0.82 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7658200 0.81 MCL1 (0.47) TP53MEN1KMT2AMAPTADORA3
SCHEMBL7662205 0.81 SIRT2 (0.53) NPC1RAB9ATP53SMN1; SMN2MEN1
SCHEMBL7656206 0.80 NPC1 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7659132 0.79 KMT2A (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7655647 0.77 MAPT (0.51) RAB9ATP53SMN1; SMN2MEN1KMT2A
SCHEMBL7662218 0.76 PTGS2 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7655128 0.76 RAB9A (0.52) NPC1RAB9ATP53SMN1; SMN2MEN1

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed