SCHEMBL28087573

SCHEMBL28087573

COc1ccnc([SH](C)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 15/20 0.50
▸ ATP4B P51164 15/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SLC22A2 O15244 1/20 0.50
▸ DDAH1 O94760 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ FASN P49327 1/20 0.50
▸ SLC47A2 Q86VL8 1/20 0.50
▸ SLC47A1 Q96FL8 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ ATP1A1 P05023 8/20 0.44
▸ ATP1B1 P05026 8/20 0.44

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
SCHEMBL28230935 0.79 NPC1 (0.43) CYP2C9KDM4EALDH1A1LMNACYP3A4
SCHEMBL23988389 0.78 ATP4A (0.58) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL6359051 0.76 ATP4A (0.58) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL28580711 0.75 ATP4A (0.47) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL29694095 0.74 ATP4A (0.55) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL537800 0.74 ATP4A (0.55) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL20514338 0.74 ATP4A (0.49) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL30005352 0.74 ATP4A (0.47) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL23988427 0.73 ATP4A (0.54) ATP4AATP4BCYP2C9KDM4ESLC22A2
SCHEMBL4268582 0.73 ATP4A (0.48) 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
CN-104262326-B A kind of preparation method of Pantoprazole Sodium 严白双 2016-08-24 — — CN disclosed
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