SCHEMBL5226722

SCHEMBL5226722

COc1ccc(Oc2cc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
BTK Q06187 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
PKM P14618 1/20 0.42
MAOB P27338 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
SOAT1 P35610 1/20 0.41
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 1/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL5223322 0.94 BTK (0.50) BTKL3MBTL1MAPTNPC1MITF
SCHEMBL5226694 0.93 KDM4E (0.43) KMT2ABTKNPC1KDM4E
SCHEMBL5223318 0.89 KDM1A (0.48) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL5228063 0.88 KMT2A (0.40) KMT2AL3MBTL1MAPTNPC1MITF
SCHEMBL5224031 0.87 CNR1 (0.38) KMT2AL3MBTL1MAPTNPC1MITF
SCHEMBL5221905 0.87 APP (0.49) KMT2AL3MBTL1MAPTNPC1RAB9A
SCHEMBL5222128 0.85 KMT2A (0.38) KMT2AL3MBTL1MAPTNPC1MITF
SCHEMBL5224995 0.83 RPS6KA3 (0.37) KMT2AL3MBTL1MAPTNPC1MITF
SCHEMBL5223017 0.83 MAPT (0.39) KMT2AL3MBTL1MAPTNPC1MITF
SCHEMBL5225138 0.82 MEN1 (0.43) KMT2AMAPTNPC1RAB9AMEN1

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