SCHEMBL6883987

SCHEMBL6883987

CNC(=N)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
STAT3 P40763 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CTSD P07339 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC1 Q13547 1/20 0.44
POLB P06746 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
SCHEMBL2775341 0.84 LMNA (0.51) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL14621976 0.82 CTSD (0.53) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL6951987 0.82 CTSD (0.62) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL21163469 0.81 LMNA (0.53) LMNASTAT3NPC1RAB9ACTSD
Iodide SCHEMBL10754021 0.81 CTSD (0.61) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL4170685 0.79 KMT2A (0.55) RAB9ASMN1; SMN2GAAPOLB
SCHEMBL8077219 0.79 CTSD (0.53) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL13823241 0.78 CTSD (0.49) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL3629922 0.78 LMNA (0.46) LMNASTAT3NPC1RAB9ACTSD
SCHEMBL5449981 0.78 ATM (0.56) LMNANPC1RAB9ASMN1; SMN2GAA

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
WO-2004096128-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-11 WO disclosed