SCHEMBL7207525

SCHEMBL7207525

COc1ccc(Br)cc1CSc1ccccc1C1=NCCC[N]1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.43
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4064122 0.81 MC4R (0.56) MC4RKCNH2KMT2A
SCHEMBL4008428 0.79 MC4R (0.63) MC4RKCNH2KMT2A
SCHEMBL4824573 0.77 KMT2A (0.43) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4160348 0.76 SLC6A4 (0.55) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4147932 0.75 MC4R (0.53) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4364071 0.75 MC4R (0.42) MC4RKCNH2KDM4EMEN1KMT2A
SCHEMBL4357248 0.75 MC4R (0.42) MC4RKCNH2KDM4ETDP1MEN1
SCHEMBL4359218 0.74 DRD2 (0.49) MC4RKCNH2
SCHEMBL4823936 0.74 KDM4E (0.47) MC4RKDM4ETDP1MEN1KMT2A
SCHEMBL4146963 0.73 MC4R (0.45) MC4RKCNH2KDM4EMEN1KMT2A

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-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed