SCHEMBL4192500

SCHEMBL4192500

N#CCC1C=CN=C(OCc2ccc(-c3cccnc3)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.42
P4HTM Q9NXG6 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMPD1 P17405 2/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
MAPK9 P45984 3/20 0.32
MAPK10 P53779 3/20 0.32
PDE10A Q9Y233 2/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK8 P45983 2/20 0.31
KDR P35968 1/20 0.31
TEK Q02763 1/20 0.31
PIK3CD O00329 1/20 0.31
PIP5K1C O60331 1/20 0.31

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
SCHEMBL4192595 0.91 MAPK9 (0.36) P4HTMNPC1RAB9APTGS1PTGS2
SCHEMBL4203404 0.88 PTGS1 (0.36) NPC1RAB9APTGS1PTGS2MAPK9
SCHEMBL4197270 0.87 PTGS1 (0.36) NPC1RAB9APTGS1PTGS2MAPK9
SCHEMBL4190547 0.87 MAPK9 (0.39) NPC1RAB9APTGS1PTGS2MAPK9
SCHEMBL7707665 0.85 NAAA (0.39) NAAANPC1RAB9APTGS1PTGS2
SCHEMBL7707025 0.85 NAAA (0.32) NAAARAB9AMAPTLMNA
SCHEMBL5613944 0.84 MAPK8 (0.38) P4HTMNPC1RAB9AMAPK9MAPK10
SCHEMBL7707443 0.84 RAB9A (0.44) NPC1RAB9APTGS1PTGS2MAPK9
SCHEMBL5613992 0.83 PTGS1 (0.36) NPC1RAB9APTGS1PTGS2MAPK9
SCHEMBL4197491 0.82 CYP2D6 (0.38) NPC1RAB9APTGS1PTGS2MAPK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed