SCHEMBL5765009

SCHEMBL5765009

COc1ccc(Br)cc1CSc1ccccc1CN1CCC(O)C1.COc1ccc(Br)cc1CSc1ccccc1CN1CCCC1CO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.43
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.40
CD274 Q9NZQ7 3/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
PDCD1 Q15116 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL14027328 0.91 KDM4E (0.43) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL4009350 0.91 KDM4E (0.43) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL14027327 0.91 KDM4E (0.43) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL14027324 0.90 CCR5 (0.51) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL4365822 0.90 CCR5 (0.51) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL4160949 0.89 KDM4E (0.45) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL14027220 0.83 KDM4E (0.49) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL14027308 0.79 SPHK2 (0.44) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL14027306 0.79 SPHK2 (0.44) CCR5KDM4EKMT2AALDH1A1MEN1
SCHEMBL4361737 0.79 SPHK2 (0.44) CCR5KDM4EKMT2AALDH1A1MEN1

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-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed