SCHEMBL11725599

SCHEMBL11725599

CCC(=O)Oc1ccc2nc(NC(=O)Nc3ccccc3CC)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 9/20 0.60
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
MCL1 Q07820 1/20 0.58
POLB P06746 2/20 0.58
USP2 O75604 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
TP53 P04637 2/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL11728152 0.87 RAB9A (0.66) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11728115 0.86 MAPT (0.77) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11728419 0.81 SMN1; SMN2 (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL6905520 0.81 NPC1 (0.67) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11724128 0.78 RAB9A (0.74) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL21858365 0.77 RAB9A (0.75) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11725983 0.76 RAB9A (0.79) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11724096 0.76 RAB9A (0.74) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL25001241 0.76 RAB9A (0.82) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL25001209 0.75 RAB9A (1.00) RAB9ANPC1KMT2AMEN1MAPT

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-4046770-A IMMUNE REGULANTS ELI LILLY AND COMPANY (US) 1977-09-06 US disclosed