SCHEMBL5227512

SCHEMBL5227512

COc1ccc(-c2cc(CCCO)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
PTGS2 P35354 2/20 0.44
TLR8 Q9NR97 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
PKM P14618 1/20 0.38
MAOB P27338 1/20 0.38
AGTR1 P30556 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5223978 0.82 GAA (0.50) KMT2AMEN1PTGS2LMNAMAPT
SCHEMBL5225376 0.79 ALOX5 (0.51) KMT2AMEN1PTGS2LMNAHTT
SCHEMBL5223691 0.77 ALDH1A1 (0.46) KMT2AMEN1PTGS2LMNAHTT
SCHEMBL5225056 0.73 MAPK11 (0.57) KMT2AMEN1PTGS2LMNAMAPT
SCHEMBL5222119 0.72 KMT2A (0.44) KMT2AMEN1PTGS2LMNAMAPT
SCHEMBL25060794 0.72 MALT1 (0.45) KMT2AMEN1PTGS2CYP11B1CYP11B2
SCHEMBL5223497 0.72 SMN1; SMN2 (0.54) MAPTKDM4ESMN1; SMN2L3MBTL1BACE1
SCHEMBL5226722 0.71 KMT2A (0.43) KMT2AMEN1PTGS2LMNAMAPT
SCHEMBL5227004 0.70 NPC1 (0.62) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL5227509 0.70 MAPT (0.55) KMT2AMEN1PTGS2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed