SCHEMBL5221810

SCHEMBL5221810

COc1ccc(-c2cc(Sc3ccccc3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
NPSR1 Q6W5P4 5/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
MAOB P27338 1/20 0.43
AGTR1 P30556 1/20 0.43
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL5224315 0.90 L3MBTL1 (0.44) ALDH1A1LMNAL3MBTL1SMN1; SMN2KDM4E
SCHEMBL5222944 0.83 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5225080 0.82 NPSR1 (0.50) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5227509 0.81 MAPT (0.55) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5227004 0.78 NPC1 (0.62) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6985387 0.76 SQOR (0.39) ALDH1A1NPSR1LMNASMN1; SMN2KDM4E
SCHEMBL5221958 0.75 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5223322 0.74 BTK (0.50) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5224304 0.73 ADORA1 (0.53) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL5222119 0.71 KMT2A (0.44) ALDH1A1NPSR1LMNAL3MBTL1SMN1; SMN2

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