SCHEMBL10565577

SCHEMBL10565577

C=CC=C1SC(=S)N(C)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ CISD1 Q9NZ45 4/20 0.51
▸ MAOB P27338 2/20 0.51
▸ MAOA P21397 1/20 0.51
▸ NAT1 P18440 1/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 1/20 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
SCHEMBL12025925 0.78 CISD1 (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25165324 0.76 NAT1 (0.57) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22313645 0.73 CISD1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23284290 0.73 CISD1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19240045 0.73 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19240056 0.72 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19239998 0.70 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL10507894 0.69 KMT2A (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8689716 0.69 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11457683 0.69 MAPT (0.56) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-4846881-A AMINO OR THIO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-11 — — US disclosed
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