SCHEMBL5072176

SCHEMBL5072176

NC(CSSC[C@H](N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
POLB P06746 1/20 0.52
METAP2 P50579 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LTA4H P09960 5/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL5070127 1.00 MME (0.53) MMEACEPOLBMETAP2TAAR1
SCHEMBL5069963 0.84 METAP2 (0.52) MMEACEPOLBMETAP2TAAR1
SCHEMBL5072747 0.84 METAP2 (0.52) MMEACEPOLBMETAP2TAAR1
SCHEMBL8526953 0.83 SPHK1 (0.55) POLBTAAR1LTA4HMEN1KMT2A
SCHEMBL8526956 0.83 SPHK1 (0.55) POLBTAAR1LTA4HMEN1KMT2A
SCHEMBL2311252 0.83 SPHK1 (0.55) POLBTAAR1LTA4HMEN1KMT2A
SCHEMBL29410403 0.83 POLB (0.53) POLBMETAP2TAAR1LTA4HMEN1
SCHEMBL12933694 0.82 KIF11 (0.47) MMEACEPOLBMETAP2TAAR1
SCHEMBL14209990 0.81 MEN1 (0.60) MMEACEPOLBMETAP2TAAR1
SCHEMBL10791327 0.81 MEN1 (0.60) MMEACEPOLBMETAP2TAAR1

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
US-20080226503-A1 Method for selective detection of peptides using molecularly imprinted sensors TAI DAR-FU 2008-09-18 US claimed