SCHEMBL11117773

SCHEMBL11117773

CC(c1ccccc1)N1C(=O)CCSC1=S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
BRD4 O60885 2/20 0.38
MC4R P32245 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL40439 0.78 ALDH1A1 (0.53) MAPTALDH1A1HPGDCYP2D6KMT2A
SCHEMBL9390740 0.75 ALDH1A1 (0.50) MAPTALDH1A1HPGDCYP2D6KMT2A
SCHEMBL20005701 0.68 MAPT (0.55) MAPTMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL11082747 0.66 KMT2A (0.48) MAPTALDH1A1HPGDCYP2D6KMT2A
SCHEMBL1795649 0.65 ALDH1A1 (0.50) MAPTMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL717117 0.65 ALDH1A1 (0.50) MAPTMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL3817361 0.65 ALDH1A1 (0.50) MAPTMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL9742723 0.65 CYP2D6 (0.48) MAPK1ALDH1A1HPGDKDM4ECYP2D6
SCHEMBL16118505 0.65 ALDH1A1 (0.46) MAPTALDH1A1HPGDCYP2D6KMT2A
SCHEMBL5164869 0.65 ALDH1A1 (0.46) MAPTALDH1A1HPGDCYP2D6KMT2A

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-4450159-A ORGAN TRANSPLANTS; IMMUNOLOGY THE UPJOHN COMPANY (US) 1984-05-22 US claimed