SCHEMBL9536745

SCHEMBL9536745

CNC(C)(Cc1cccs1)C1CCSc2cc(OC)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.37
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
TSHR P16473 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9533768 0.81 HTR1A (0.38) ALDH1A1MAPK1MEN1KMT2ATSHR
SCHEMBL9535109 0.69 DRD2 (0.46) ALDH1A1TDP1MEN1KMT2ADRD2
SCHEMBL2222984 0.61 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11001305 0.60 KDM4E (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL14204664 0.60 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1MAPK1KDM4E
SCHEMBL10480569 0.60 MEN1 (0.51) ALDH1A1L3MBTL1TDP1MAPK1GAA
SCHEMBL9096157 0.59 POLB (0.42) USP2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL3963112 0.58 USP2 (0.53) USP2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL546118 0.58 L3MBTL1 (0.57) USP2ALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL25659971 0.57 RYR2 (0.45) ALDH1A1KDM4EMEN1KMT2AOPRM1

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
EP-0396620-B1 AMINOMETHYL-CHROMAN AND -THIOCHROMAN COMPOUNDS ABBOTT LABORATORIES (US) 1993-08-11 EP claimed