SCHEMBL7539124

SCHEMBL7539124

COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1CC(C)CC=O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MC4R P32245 13/20 0.39
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7538764 0.87 MC4R (0.39) MC4RKDM4ETDP1MEN1ALDH1A1
SCHEMBL7540521 0.80 MC4R (0.37) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4824573 0.80 KMT2A (0.43) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4363678 0.79 KDM4E (0.40) MC4RKDM4ETDP1MEN1ALDH1A1
SCHEMBL4363581 0.76 KDM4E (0.51) MC4RKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4823163 0.75 KDM4E (0.40) MC4RKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7207525 0.73 MC4R (0.43) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4013095 0.72 KCNH2 (0.57) MC4RKCNH2
SCHEMBL4064122 0.71 MC4R (0.56) MC4RKCNH2KMT2A
SCHEMBL4008428 0.69 MC4R (0.63) MC4RKCNH2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 WO disclosed