SCHEMBL11635982

SCHEMBL11635982

CCOC(=O)Cc1ccc2nc(Cc3ccc(Cl)cc3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
USP2 O75604 1/20 0.47
MAPK10 P53779 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
STAT3 P40763 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL11642724 0.91 MAPT (0.56) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL11637136 0.90 MAPT (0.56) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL11636658 0.83 LMNA (0.61) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL21814999 0.81 RAB9A (0.47) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11637249 0.81 LMNA (0.48) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL16197930 0.76 MEN1 (0.47) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL11336670 0.76 MEN1 (0.56) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL8361904 0.75 MAPT (0.58) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL11638254 0.75 MAPT (0.53) LMNAMAPTSMN1; SMN2POLBNPC1
SCHEMBL1904985 0.74 NPC1 (0.57) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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-4100168-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LTD. (GB) 1978-07-11 US disclosed