SCHEMBL11637249

SCHEMBL11637249

CCOC(=O)C(C)c1ccc2nc(Cc3ccc(Cl)cc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
POLB P06746 3/20 0.47
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
USP2 O75604 1/20 0.45
MAPK10 P53779 1/20 0.45
TP53 P04637 3/20 0.43
STAT3 P40763 1/20 0.43
P2RX3 P56373 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
SCHEMBL11638254 0.92 MAPT (0.53) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11638033 0.87 MAOA (0.54) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11639947 0.82 MAOA (0.41) LMNAPOLBMAPTALDH1A1NPSR1
SCHEMBL11635982 0.81 LMNA (0.53) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11637743 0.81 MAPT (0.42) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11636604 0.81 RAB9A (0.51) LMNAPOLBMAPTNPC1RAB9A
SCHEMBL11637702 0.78 MAOA (0.66) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11639480 0.77 MAPT (0.49) LMNAPOLBMAPTSMN1; SMN2KMT2A
SCHEMBL11635921 0.76 POLB (0.61) LMNAPOLBMAPTKMT2ANPC1
SCHEMBL11639510 0.75 TP53 (0.45) LMNAPOLBMAPTSMN1; SMN2KMT2A

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