SCHEMBL4186067

SCHEMBL4186067

CC1(N)Nc2ccccc2S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 2/20 0.44
GAA P10253 8/20 0.43
MAPT P10636 7/20 0.43
TDP1 Q9NUW8 5/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
NOX1 Q9Y5S8 5/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
BCHE P06276 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
SCHEMBL1641615 0.78 MEN1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL14535299 0.78 MEN1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30944312 0.78 GAA (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11191773 0.77 MEN1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19642170 0.76 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL25422553 0.75 GAA (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10970856 0.75 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10901866 0.75 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28591108 0.75 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28553141 0.75 MEN1 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
EP-0013007-A1 Process for the preparation of 4-methyl-2-amino-benzothiazole LONZA AG (CH) 1980-07-09 EP disclosed