SCHEMBL6745111

SCHEMBL6745111

COc1ccc(Br)cc1CSc1nc2ccccc2nc1N1CCC(CN)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 2/20 0.43
TSHR P16473 1/20 0.42
TP53 P04637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CSNK1A1 P48729 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4369319 0.88 GAA (0.43) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14027623 0.86 GAA (0.47) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4820254 0.85 MAPT (0.48) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4823017 0.85 MAPT (0.46) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14027639 0.84 MAPT (0.46) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4157310 0.83 MAPT (0.41) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4816428 0.82 MAPT (0.46) GAAMAPTSMN1; SMN2THRBTSHR
SCHEMBL14027670 0.82 MAPT (0.41) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14027616 0.81 ACHE (0.46) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL14027594 0.80 AURKA (0.48) MAPTSMN1; SMN2KMT2ATHRB

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-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed