SCHEMBL28087593

SCHEMBL28087593

COc1ccnc(CSn2cnc3ccccc32)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ IDO1 P14902 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ ADRB2 P07550 2/20 0.36
▸ ADRB1 P08588 2/20 0.36
▸ ADRB3 P13945 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL27915423 0.80 ATP4A (0.47) RAB9ANPC1MAPTSMN1; SMN2FGFR1
SCHEMBL7235975 0.76 NPC1 (0.55) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL5984224 0.75 RAB9A (0.41) RAB9ANPC1MAPTSMN1; SMN2IDO1
SCHEMBL8672725 0.71 MAPT (0.33) RAB9ANPC1MAPTPOLBCYP1A2
SCHEMBL10817929 0.71 RAB9A (0.40) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6529410 0.70 CYP11B1 (0.53) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL4694659 0.69 PTGDR2 (0.39) RAB9ANPC1MAPTPOLBALDH1A1
SCHEMBL9060998 0.69 TDP1 (0.48) SMN1; SMN2HTTTDP1MEN1KMT2A
SCHEMBL599672 0.69 POLB (0.45) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL9833507 0.68 SMN1; SMN2 (0.62) RAB9ANPC1MAPTSMN1; SMN2HTT

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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