SCHEMBL11874462

SCHEMBL11874462

CC(=O)Nc1ccc(CSC[C@H](N)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ SLC1A1 P43005 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ AOC3 Q16853 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL11874467 1.00 MAPT (0.45) MAPTPOLBSLC1A3SLC1A2SLC1A1
SCHEMBL30037334 0.82 SLC7A5 (0.61) MAPTPOLBSLC1A3SLC1A2SLC1A1
SCHEMBL3059437 0.82 SLC7A5 (0.61) MAPTPOLBSLC1A3SLC1A2SLC1A1
SCHEMBL4943107 0.82 SLC7A5 (0.61) MAPTPOLBSLC1A3SLC1A2SLC1A1
SCHEMBL919742 0.80 KIF11 (0.56) GAAKIF11ALDH1A1
SCHEMBL5696373 0.80 KIF11 (0.57) KIF11ALDH1A1GLO1
SCHEMBL1158094 0.80 KIF11 (0.56) GAAKIF11ALDH1A1
SCHEMBL11796402 0.80 KIF11 (0.57) KIF11ALDH1A1GLO1
SCHEMBL1158095 0.80 KIF11 (0.56) GAAKIF11ALDH1A1
SCHEMBL31065560 0.79 GAA (0.60) MAPTPOLBTSHRGAASMN1; 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-3976781-A SULFUR CONTAINING AMINES L'OREAL (FR) 1976-08-24 — — US claimed
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