SCHEMBL8310489

SCHEMBL8310489

CCOC(=O)C(C)(C)CCCSC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 3/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL8315245 0.95 CYP4F2 (0.57) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8310214 0.90 CYP4F2 (0.49) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8316172 0.83 CYP4F2 (0.57) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL6410664 0.81 CYP4F2 (0.62) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8316665 0.78 CYP4F2 (0.59) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL6254544 0.77 CYP4F2 (0.85) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL6257314 0.77 CYP4F2 (0.85) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8315144 0.75 CYP4F2 (0.51) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL9514301 0.75 CYP4F2 (0.65) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL7941258 0.75 CYP4F2 (0.69) CYP4F2CYP4A11MEN1KMT2APKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
EP-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
CN-1040874-C Triazolopyridazine compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-11-25 CN disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
CN-1077958-A The preparation of triazolopyridazine compounds, their and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-11-03 CN disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed