SCHEMBL5222944

SCHEMBL5222944

COc1ccc(-c2cc(Sc3cc(Cl)c(Cl)c(Cl)c3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
GCGR P47871 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
PKM P14618 2/20 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
SCHEMBL5221810 0.83 ALDH1A1 (0.46) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5227509 0.78 MAPT (0.55) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5222119 0.74 KMT2A (0.44) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5224315 0.74 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1LMNAKMT2A
SCHEMBL6985387 0.72 SQOR (0.39) ALDH1A1NPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL5223925 0.72 KMT2A (0.38) ALDH1A1NPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL5226884 0.71 MAPK14 (0.50) GCGRMAPK14KDM4ENPC1RAB9A
SCHEMBL5221958 0.70 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5225506 0.68 CNR1 (0.46) L3MBTL1LMNAGCGRMAPK14CNR1
SCHEMBL5226722 0.67 KMT2A (0.43) ALDH1A1NPSR1SMN1; SMN2L3MBTL1LMNA

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