SCHEMBL5228063

SCHEMBL5228063

COc1ccc(-c2cc(Oc3cc(F)cc(F)c3)nnc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
TLR9 Q9NR96 1/20 0.40
SQOR Q9Y6N5 1/20 0.38
MITF O75030 1/20 0.37
PKM P14618 1/20 0.37
MAOB P27338 1/20 0.37
AGTR1 P30556 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5226722 0.88 KMT2A (0.43) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5224031 0.85 CNR1 (0.38) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5222128 0.83 KMT2A (0.38) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5223322 0.83 BTK (0.50) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL5226694 0.82 KDM4E (0.43) KMT2ANPC1KDM4EMAPK14GCGR
SCHEMBL5221631 0.82 SYK (0.42) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5223501 0.82 TRPA1 (0.44) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5223017 0.81 MAPT (0.39) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5224995 0.81 RPS6KA3 (0.37) KMT2ANPC1RAB9AMAPTKDM4E
SCHEMBL5227456 0.79 MAPT (0.40) KMT2ANPC1RAB9AMAPTKDM4E

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