SCHEMBL7320178

SCHEMBL7320178

CNS(=O)(=O)c1cccc(C(=O)CC(Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.48
AKR1C3 P42330 2/20 0.48
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPA3 P15088 1/20 0.47
CPB2 Q96IY4 1/20 0.47
FOLH1 Q04609 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7319940 0.89 AKR1C3 (0.53) KMOAKR1C3CPA1CPB1CPA3
SCHEMBL7314484 0.84 KMO (0.57) KMOCPA1CPB1CPA3CPB2
SCHEMBL7316863 0.83 ALDH1A1 (0.58) KMOCPA1CPB1CPA3CPB2
SCHEMBL7321649 0.79 ALDH1A1 (0.51) TDP1POLBMEN1AGTR1KMT2A
SCHEMBL7312441 0.78 KMO (0.63) KMOCPA1CPB1CPA3CPB2
SCHEMBL7319825 0.78 MAPT (0.58) KMOPOLBTSHRMEN1KMT2A
SCHEMBL7315538 0.77 TSHR (0.75) KMOCPA1CPB1CPA3CPB2
SCHEMBL3104186 0.77 TSHR (0.75) KMOCPA1CPB1CPA3CPB2
SCHEMBL7312457 0.76 KMO (0.71) KMOCPA1CPB1CPA3CPB2
SCHEMBL7321600 0.75 KMO (0.59) KMOCPA1CPB1CPA3CPB2

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed