SCHEMBL7417802

SCHEMBL7417802

O=C(O)N[C@@H](Cc1c[nH]c2ccccc12)c1nnn[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
SSTR3 P32745 2/20 0.49
SSTR1 P30872 1/20 0.48
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48

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
SCHEMBL7417808 1.00 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EMAPTAPAF1POLB
SCHEMBL7412810 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL7412806 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL7410325 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL7412819 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL7410319 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL9242659 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL7410315 0.82 ACE (0.46) SSTR3ACEECE1
SCHEMBL23100718 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTAPAF1POLB
SCHEMBL23100716 0.81 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPTAPAF1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5414013-A Enzyme inhibitors E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
US-5414017-A Cardiovascular agents E. R. SQUIBB & SONS, INC. (US) 1995-05-09 US disclosed
EP-0449523-B1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use SQUIBB & SONS INC (US) 1994-08-17 EP disclosed
US-5223516-A Endopeptidase inhibitors E. R. SQUIBB & SONS, INC. (US) 1993-06-29 US disclosed
EP-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 EP disclosed