SCHEMBL9112000

SCHEMBL9112000

COc1ccc(CSC(C)(C)CNC(F)CN)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
PRMT1 Q99873 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SLC6A4 P31645 1/20 0.36
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
MAOB P27338 1/20 0.35
APP P05067 1/20 0.35
BCHE P06276 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
SCHEMBL8376336 0.78 MEN1 (0.47) MEN1KMT2AIDO1CYP1A2CYP2D6
SCHEMBL20435360 0.77 TAAR1 (0.50) MEN1KMT2AIDO1CYP1A2CYP2D6
SCHEMBL30657036 0.77 TAAR1 (0.44) MEN1KMT2AIDO1CYP1A2CYP2D6
SCHEMBL6578267 0.77 CYP3A4 (0.62) IDO1CYP1A2CYP2D6CYP3A4PRMT1
SCHEMBL2430380 0.76 MEN1 (0.45) MEN1KMT2AIDO1CYP3A4LMNA
SCHEMBL24106692 0.73 IDO1 (0.46) IDO1CYP1A2CYP2D6CYP3A4TAAR1
SCHEMBL9207164 0.73 ACE (0.47) MEN1KMT2ALMNAMAPTHTT
SCHEMBL6604781 0.71 KMT2A (0.56) MEN1KMT2ALMNAMAPTHTT
SCHEMBL16589112 0.71 IDO1 (0.47) MEN1KMT2AIDO1CYP1A2CYP2D6
SCHEMBL7798995 0.71 CYP3A4 (0.46) IDO1CYP1A2CYP2D6CYP3A4PRMT1

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
EP-0644778-A1 TECHNETIUM-99m LABELED PEPTIDES FOR IMAGING. DIATECH INC (US) 1995-03-29 EP disclosed