Isobutane

Isobutane

SCHEMBL27558036

CC(C)C.Cn1nc(-c2ccc(CN)cc2)cc(OS(C)(=O)=O)c1=O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.39
▸ ENPP1 P22413 5/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PHGDH O43175 1/20 0.31
▸ PTGS2 P35354 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
Isobutane SCHEMBL27557774 0.84 PHGDH (0.42) BRD4MAPTPHGDHPTGS2
Isobutane SCHEMBL27643374 0.81 PHGDH (0.32) SYKBRD4HRH3MAPTKMT2A
SCHEMBL27624100 0.80 HTT (0.35) ENPP1BRD4HRH3NMT1KDM4E
Isobutane SCHEMBL27557800 0.76 SYK (0.43) SYKENPP1BRD4HRH3NMT1
Isobutane SCHEMBL27538682 0.75 SYK (0.43) SYKENPP1BRD4HRH3NMT1
SCHEMBL1925748 0.69 NR1H2 (0.39) KDM4EHTTSMN1; SMN2PTGS2
SCHEMBL27558031 0.69 NR1H2 (0.38) SYKATMATRSMN1; SMN2MAPT
Isobutane SCHEMBL27575778 0.69 KDM5B (0.37) KDM4EKMT2APTGS2
SCHEMBL27643387 0.64 SYK (0.39) SYKBRD4SMN1; SMN2MAPTKMT2A
SCHEMBL8185767 0.64 MEN1 (0.46) ATMKDM4EHPGDSMN1; SMN2MAPT

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
CN-1304379-C Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO (JP) 2007-03-14 — — CN disclosed
CN-1759103-A Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO (JP) 2006-04-12 — — CN disclosed
CN-1558903-A Water-soluble phenylpyridazine derivative and drug containing the same ������������ʽ���� 2004-12-29 — — CN disclosed
Send feedback