SCHEMBL6184613

SCHEMBL6184613

NC(=O)c1nc(-c2ccccc2)c(-c2ccc3nnn(-c4ccccc4)c3c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.43
TGFBR1 P36897 1/20 0.43
NT5E P21589 3/20 0.41
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 4/20 0.37
GSK3B P49841 2/20 0.36
CHEK2 O96017 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.35
TDO2 P48775 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6184499 0.94 MAPK14 (0.44) KCNMA1TGFBR1NT5ENPC1KDM4E
SCHEMBL6183056 0.91 MAPK14 (0.43) KCNMA1TGFBR1NT5ENPC1L3MBTL1
SCHEMBL6184681 0.91 NT5E (0.42) KCNMA1TGFBR1NT5EMAPK14CHEK2
SCHEMBL6185563 0.83 MAPK14 (0.43) NT5ENPC1KDM4EL3MBTL1MAPK14
SCHEMBL6186458 0.83 NT5E (0.43) TGFBR1NT5EL3MBTL1MAPK14
SCHEMBL6182069 0.82 NT5E (0.41) NT5ENPC1L3MBTL1MAPK14ALDH1A1
SCHEMBL6186115 0.81 NT5E (0.42) TGFBR1NT5EMAPK14
SCHEMBL6188438 0.80 MAPK14 (0.45) NT5EMAPK14MEN1KMT2A
SCHEMBL6184293 0.79 NT5E (0.41) TGFBR1NT5EKDM4EL3MBTL1MAPK14
SCHEMBL6182974 0.79 MAPK14 (0.41) KCNMA1TGFBR1MAPK14GSK3B

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-1247810-B1 Novel benzotriazoles anti-inflammatory compounds PFIZER PROD INC (US) 2005-09-07 EP disclosed
EP-1247810-A1 Novel benzotriazoles anti-inflammatory compounds Pfizer Products Inc. (US) 2002-10-09 EP disclosed