SCHEMBL6260768

SCHEMBL6260768

C[C@H](N)C(=O)c1cccc2nc3ccccc3c(-c3ccc(N)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
DHODH Q02127 2/20 0.39
PARP1 P09874 2/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6260759 1.00 ELANE (0.43) ELANEDHODHPARP1TNKSTNKS2
SCHEMBL27638674 0.86 PARP1 (0.36) DHODHPARP1TNKSTNKS2ALDH1A1
SCHEMBL5273550 0.86 PARP1 (0.36) DHODHPARP1TNKSTNKS2ALDH1A1
SCHEMBL5273021 0.81 MEN1 (0.43) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL5278217 0.80 ELANE (0.40) ELANEALDH1A1KDM4EGAAMAPT
SCHEMBL5278206 0.80 ELANE (0.40) ELANEALDH1A1KDM4EGAAMAPT
SCHEMBL27855864 0.78 GAA (0.56) ELANEDHODHALDH1A1LMNAHSD17B10
SCHEMBL5273960 0.78 ACHE (0.57) ELANE
Hydrochloric Acid SCHEMBL5404005 0.77 ACHE (0.56) ELANE
Hydrochloric Acid SCHEMBL5414827 0.76 ACHE (0.54)

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-1587793-A1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX (FR) 2005-10-26 EP disclosed
WO-2004069804-A1 ENZYME SUBSTRATES, CULTURE MEDIA CONTAINING SAME AND USE THEREOF IN ORDER TO DETECT AMINOPEPTIDASE ACTIVITY AND/OR DIFFERENTIATE GRAM-POSITIVE BACTERIA FROM GRAM-NEGATIVE BACTERIA BIOMERIEUX (FR) 2004-08-19 WO disclosed