SCHEMBL5224995

SCHEMBL5224995

COc1ccc(-c2cc(Oc3c(F)c(F)cc(F)c3F)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TLR9 Q9NR96 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 1/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5222128 0.92 KMT2A (0.38) RPS6KA3KMT2AMAPTKDM4EALDH1A1
SCHEMBL5223724 0.87 SOAT1 (0.44) MAPTKDM4EALDH1A1HTTNPSR1
SCHEMBL5223017 0.87 MAPT (0.39) RPS6KA3KMT2AMAPTKDM4EALDH1A1
SCHEMBL5226722 0.83 KMT2A (0.43) KMT2AMAPTKDM4EALDH1A1NPSR1
SCHEMBL5224031 0.83 CNR1 (0.38) RPS6KA3KMT2AMAPTKDM4EALDH1A1
SCHEMBL5227456 0.82 MAPT (0.40) RPS6KA3KMT2AMAPTKDM4EALDH1A1
SCHEMBL5228063 0.81 KMT2A (0.40) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL5221631 0.80 SYK (0.42) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL5223501 0.80 TRPA1 (0.44) KMT2AMAPTKDM4EALDH1A1POLB
SCHEMBL5224063 0.79 SOAT1 (0.42) KMT2AMAPTKDM4EALDH1A1POLB

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