SCHEMBL5223017

SCHEMBL5223017

COc1ccc(-c2cc(Oc3c(F)cccc3F)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MITF O75030 1/20 0.39
PKM P14618 1/20 0.39
MAOB P27338 1/20 0.39
AGTR1 P30556 1/20 0.39
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
SOAT1 P35610 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RPS6KA3 P51812 1/20 0.37
APP P05067 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5227456 0.87 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5224995 0.87 RPS6KA3 (0.37) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5222128 0.86 KMT2A (0.38) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5223724 0.85 SOAT1 (0.44) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5224063 0.84 SOAT1 (0.42) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5226722 0.83 KMT2A (0.43) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5224031 0.83 CNR1 (0.38) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5228063 0.81 KMT2A (0.40) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5223322 0.81 BTK (0.50) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL5221631 0.80 SYK (0.42) MAPTNPC1RAB9AALDH1A1KDM4E

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