SCHEMBL5616017

SCHEMBL5616017

COc1ccnc(CNS(=O)(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 14/20 0.53
ATP4B P51164 14/20 0.53
CYP2C9 P11712 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SLC22A2 O15244 1/20 0.53
DDAH1 O94760 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ABCB1 P08183 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ADRA1A P35348 1/20 0.53
FASN P49327 1/20 0.53
SLC47A2 Q86VL8 1/20 0.53
SLC47A1 Q96FL8 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
ATP1A1 P05023 7/20 0.45
ATP1B1 P05026 7/20 0.45

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
SCHEMBL4563475 0.99 ATP4A (0.54) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL5616024 0.98 ATP4A (0.53) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL15016541 0.89 RUNX1 (0.48) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL15017491 0.86 ATP4A (0.54) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL538298 0.85 ATP4A (0.56) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL30102856 0.85 ATP4A (0.56) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL27634378 0.84 ATP4A (0.54) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL5741089 0.81 ATP4A (0.47) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL6359051 0.80 ATP4A (0.58) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL5786127 0.80 ATP4A (0.44) ATP4AATP4BCYP2C9KDM4ESLC22A2

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
WO-2007086077-A2 A NOVEL ONE POT PROCESS FOR PREPARATION OF PANTOPRAZOLE SODIUM SESQUIHYDRATE UNICHEM LABORATORIES LIMITED (IN) 2007-08-02 WO disclosed