Benzodiazepine

Benzodiazepine

SCHEMBL4553535

C1=Cc2ccccc2NN=C1.N[C@@H](CO)C(=O)O

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KIF11 P52732 7/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A5 Q15758 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
Benzodiazepine SCHEMBL27622539 0.88 ALPI (0.36) ALPIPKMPTGS1XIAPSLC7A5
Benzodiazepine SCHEMBL27880113 0.85 P2RX4 (0.34) IDO1TDO2MAPT
Benzodiazepine SCHEMBL28356183 0.83 P2RX4 (0.32)
Benzodiazepine SCHEMBL14740757 0.83 MAPT (0.35) POLBTDP1LMNAMAPTTSHR
Benzodiazepine SCHEMBL29040975 0.82 GAA (0.32) KDM4ELMNAMAPTTSHR
Benzodiazepine SCHEMBL1574261 0.81 MAPT (0.36) LMNAMAPTTSHR
Benzodiazepine SCHEMBL29151800 0.80 MAPT (0.35) MAPT
Benzodiazepine SCHEMBL28096295 0.80 GAA (0.38) MAPT
Benzodiazepine SCHEMBL22578992 0.79 MAPT (0.33) KMT2AKDM4EMEN1MAPT
Benzodiazepine SCHEMBL27786695 0.78 MAPT (0.36) MAPT

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-20090143285-A1 TARGET PROTEIN AND TARGET GENE FOR DRUG DISCOVERY AND SCREENING METHOD REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2009-06-04 US disclosed