SCHEMBL7707665

SCHEMBL7707665

N#CCC1C=CN=C(OCc2cccc(-c3ccccc3)c2)N1c1nc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.39
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL4190547 0.92 MAPK9 (0.39) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4193807 0.87 PTGS1 (0.35) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4197491 0.87 CYP2D6 (0.38) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL5613992 0.86 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4203404 0.85 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4192595 0.85 MAPK9 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4192500 0.85 NAAA (0.42) NAAAPTGS1PTGS2MAPK9MAPK10
SCHEMBL4197321 0.84 RAB9A (0.49) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL5614066 0.84 MAPK8 (0.42) MAPK9MAPK10MEN1KMT2ANPC1
SCHEMBL4197270 0.83 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1

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-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed