SCHEMBL9130369

SCHEMBL9130369

N[C@@H](CSCCc1ccccn1)C(=O)O.O=C1NC(=O)C(c2ccccc2)N1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
NAAA Q02083 1/20 0.36
SLC1A5 Q15758 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PTPRA P18433 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL7357437 0.83 HTT (0.53) ALDH1A1HTTMAPK1TP53PKM
Cystine SCHEMBL440076 0.80 IDO1 (0.44) ALDH1A1LMNAPOLBIDO1TDO2
SCHEMBL9130374 0.77 HTT (0.40) ALDH1A1HTTMAPK1TP53PKM
Cysteine SCHEMBL9128017 0.74 IDO1 (0.45) ALDH1A1LMNAPOLBIDO1TDO2
SCHEMBL11197175 0.71 CYP1A2 (0.55) ALDH1A1MAPK1PKMLMNASLC1A5
SCHEMBL11197173 0.71 CYP1A2 (0.55) ALDH1A1MAPK1PKMLMNASLC1A5
Threonine SCHEMBL9838841 0.69 USP2 (0.48) ALDH1A1LMNAPOLBUSP2
Threonine SCHEMBL9838836 0.69 USP2 (0.48) ALDH1A1LMNAPOLBUSP2
SCHEMBL395878 0.67 TDP1 (0.66) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL31738422 0.67 TDP1 (0.66) ALDH1A1HTTKMT2ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387673-A Consisting of amino acids 70 to 155 of basic fibroblast growth factor; binds to heparin or heparin sepharose AMERICAN CYANAMID COMPANY (US) 1995-02-07 US disclosed
US-5206354-A Shortest fragment that retains biological activity AMERICAN CYANAMID COMPANY (US) 1993-04-27 US disclosed
EP-0486861-A1 Active fragments of fibroblast growth factor AMERICAN CYANAMID COMPANY (US) 1992-05-27 EP disclosed