SCHEMBL9059034

SCHEMBL9059034

COc1ccc2c(nc(-c3ccccn3)n2[S+](C)[O-])c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ CTSD P07339 2/20 0.38
▸ APLNR P35414 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CBFB Q13951 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ DHFR P00374 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35

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
SCHEMBL637824 0.73 KDM4E (0.47) NPC1ALDH1A1CTSDHPGDHSD17B10
SCHEMBL3766335 0.72 BACE1 (0.43) SMN1; SMN2NPC1ALDH1A1TP53RAB9A
SCHEMBL8501500 0.65 SMN1; SMN2 (0.51) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL10926518 0.64 NPC1 (0.42) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL29496937 0.62 SMN1; SMN2 (0.66) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL5463881 0.62 SMN1; SMN2 (0.66) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL4886435 0.62 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL6658196 0.62 RAB9A (0.46) SMN1; SMN2MAPTNPC1ALDH1A1TP53
SCHEMBL10499384 0.62 CTSD (0.49) SMN1; SMN2NPC1ALDH1A1TP53CTSD
Dipyridyl SCHEMBL10393998 0.61 KDM4E (0.70) SMN1; SMN2MAPTNPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724434-A1 MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR Astra Aktiebolag (SE) 1996-08-07 — — EP disclosed
WO-1996001625-A1 MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR ASTRA AKTIEBOLAG (SE) 1996-01-25 — — WO disclosed
Send feedback