SCHEMBL2802532

SCHEMBL2802532

C[S+]([O-])n1cnc2ccccc21.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH3A1 P30838 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ TNF P01375 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL2794591 0.98 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL1618548 0.82 TDP1 (0.48) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL9092595 0.79 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL22475379 0.79 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL9560914 0.79 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL3335253 0.73 POLB (0.46) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL636638 0.73 CYP11B1 (0.50) TDP1HTTLMNASMN1; SMN2L3MBTL1
SCHEMBL9236926 0.71 TDP1 (0.42) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL9677089 0.71 TDP1 (0.39) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL10531813 0.69 HTT (0.37) TDP1HTTLMNASMN1; SMN2POLB

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-109111429-A Dextrobeprazole sodium compound and pharmaceutical composition thereof 南京海润医药有限公司 2019-01-01 — — CN disclosed
CN-109111428-A Dextro-rabeprazole sodium compound and pharmaceutical composition thereof 南京海润医药有限公司 2019-01-01 — — CN disclosed
WO-2010146428-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RABEPRAZOLE ORCHID CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2010-12-23 — — WO disclosed
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