SCHEMBL5810165

SCHEMBL5810165

CS(=O)(=O)N1CCCN=C1c1ccccc1SCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.39
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PIK3CB P42338 1/20 0.37
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
ALPL P05186 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4366390 0.84 ALDH1A1 (0.47) MAPTSMN1; SMN2ALDH1A1POLBPKM
SCHEMBL4822379 0.79 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1POLBPKM
SCHEMBL4824573 0.79 KMT2A (0.43) KMT2AMEN1KDM4E
SCHEMBL4073703 0.70 NISCH (0.53) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4816212 0.64 SLC18A2 (0.43) MAPTSMN1; SMN2ALDH1A1PKMPDCD1LG2
SCHEMBL4361927 0.64 HPGD (0.39) MAPTALDH1A1PKMHPGDKDM4E
SCHEMBL4822463 0.63 CHRNA7 (0.52) MAPTSMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL4158125 0.63 NISCH (0.53) MAPTSMN1; SMN2KMT2ATSHR
SCHEMBL4368450 0.63 KDM4E (0.46) MAPTSMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL4157749 0.62 NISCH (0.41) MAPTKMT2AMEN1TSHRPDCD1LG2

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