SCHEMBL4795877

SCHEMBL4795877

O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.79
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ L3MBTL1 Q9Y468 1/20 0.79
▸ LMNA P02545 4/20 0.71
▸ MAPT P10636 4/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ ALOX15 P16050 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ NPSR1 Q6W5P4 3/20 0.69
▸ KDM4E B2RXH2 3/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ HPGD P15428 3/20 0.69
▸ TP53 P04637 2/20 0.69
▸ PPARG P37231 1/20 0.69
▸ NCOA2 Q15596 1/20 0.69
▸ NCOA1 Q15788 1/20 0.69
▸ ENPP2 Q13822 1/20 0.62
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ POLB P06746 1/20 0.60

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
SCHEMBL4274068 0.77 NPSR1 (1.00) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL4797401 0.71 ALDH1A1 (1.00) GAASMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL19269468 0.71 MAPT (0.60) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6403299 0.70 KMT2A (0.63) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL16157170 0.69 TP53 (0.81) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6405002 0.69 ALDH1A1 (0.64) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL6408123 0.69 ALDH1A1 (0.63) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL17068793 0.69 MAPT (0.74) GAASMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL26227653 0.69 MAPT (0.67) LMNAMAPTALDH1A1KMT2ANPSR1
SCHEMBL16157172 0.68 MAPT (0.80) SMN1; SMN2L3MBTL1LMNAMAPTALDH1A1

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-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 — — WO disclosed
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