SCHEMBL9130374

SCHEMBL9130374

N[C@@H](CSCCc1ccccn1)C(=O)O.O=C1CN(c2ccccc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 6/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
POLB P06746 1/20 0.36
OPRM1 P35372 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PTPRA P18433 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TPH1 P17752 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 0.84 HTT (0.53) HTTMAPK1ALDH1A1TP53PKM
Cystine SCHEMBL440078 0.80 KDM4E (0.43) PKMDDB1CRBN
SCHEMBL9130369 0.77 ALDH1A1 (0.40) HTTMAPK1ALDH1A1TP53PKM
Cysteine SCHEMBL9128024 0.74 DDB1 (0.44) PKMDDB1CRBN
SCHEMBL11197175 0.71 CYP1A2 (0.55) MAPK1ALDH1A1PKMLMNAPTPRA
SCHEMBL11197173 0.71 CYP1A2 (0.55) MAPK1ALDH1A1PKMLMNAPTPRA
SCHEMBL30428132 0.67 SLC1A5 (0.56) ALDH1A1PTPRASMN1; SMN2
SCHEMBL1768948 0.67 SLC1A5 (0.56) ALDH1A1PTPRASMN1; SMN2
SCHEMBL1176394 0.67 SLC1A5 (0.56) ALDH1A1PTPRASMN1; SMN2
SCHEMBL7320616 0.67 KIF11 (0.57) PKM

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