SCHEMBL4787612

SCHEMBL4787612

CCOC(=O)n1ncc2c(OC(N)=O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
TP53 P04637 1/20 0.43
ELANE P08246 10/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 1/20 0.40
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38

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
SCHEMBL4215088 0.81 TP53 (0.46) NPC1RAB9ATP53ELANEKMT2A
SCHEMBL4787110 0.80 ELANE (0.35) NPC1RAB9ATP53ELANEKMT2A
SCHEMBL28337035 0.74 ELANE (0.50) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL4748268 0.73 ELANE (0.40) ELANEKMT2AMEN1HPGD
SCHEMBL1141403 0.73 NPC1 (0.57) NPC1RAB9ATP53ELANEKMT2A
SCHEMBL1981917 0.72 TP53 (0.44) NPC1RAB9ATP53ELANEKMT2A
SCHEMBL5120623 0.72 HSD17B10 (0.56) NPC1RAB9AELANEKMT2AHPGD
SCHEMBL4454198 0.71 NPC1 (0.42) NPC1RAB9ATP53ELANEKMT2A
SCHEMBL1161440 0.70 NPC1 (0.49) NPC1RAB9ATP53KMT2AMEN1
SCHEMBL1855369 0.69 SCN9A (0.45) NPC1RAB9ATP53ELANEKMT2A

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-2008110863-A1 INDAZOLE DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS S.A. (US) 2008-09-18 WO disclosed