SCHEMBL30189756

SCHEMBL30189756

Cc1ccc(O)c2sc(Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
AHR P35869 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL19783365 1.00 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1OPRK1HTT
SCHEMBL8085492 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL20597519 0.81 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2035753 0.81 MEN1 (0.51) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL20714030 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL30189600 0.76 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL19782849 0.76 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL8086022 0.74 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL10591137 0.73 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL8040099 0.70 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1MAPTLMNA

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed