SCHEMBL7345455

SCHEMBL7345455

O=S(=O)(c1cccnn1)c1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.38
P2RX7 Q99572 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
CYP2C9 P11712 1/20 0.33
NAMPT P43490 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP11B2 P19099 1/20 0.32
NAPRT Q6XQN6 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HTR6 P50406 1/20 0.31
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
ABL1 P00519 1/20 0.30
PLCG1 P19174 1/20 0.30
CES1 P23141 1/20 0.30
PAX8 Q06710 1/20 0.30
RIN1 Q13671 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL22990175 0.88 KDM4E (0.51) KDM4EPKMNAMPTKEAP1NFE2L2
SCHEMBL31338952 0.85 HTR6 (0.50) KDM4EPKMCYP2C9NAMPTNAPRT
SCHEMBL10584541 0.85 HTR6 (0.50) KDM4EPKMCYP2C9NAMPTNAPRT
SCHEMBL329940 0.83 GOT1 (0.37) GOT1P2RX7CYP1A2CYP11B2NAPRT
SCHEMBL1640109 0.81 GOT1 (0.35) GOT1P2RX7CYP1A2CYP11B2CTDSP1
SCHEMBL1076498 0.81 GOT1 (0.40) GOT1P2RX7CYP2C9CYP1A2
SCHEMBL29892805 0.81 NAPRT (0.42) GOT1P2RX7KDM4ECYP2C9NAMPT
SCHEMBL4460091 0.81 GOT1 (0.35) GOT1P2RX7CYP1A2CYP11B2
SCHEMBL25213053 0.81 ALDH1A1 (0.41) GOT1P2RX7KDM4EPKMCYP1A2
SCHEMBL31005932 0.81 GOT1 (0.35) GOT1P2RX7CYP1A2CYP11B2CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5284971-A No cardiac side effects SYNTEX (U.S.A.) INC. (US) 1994-02-08 US disclosed