SCHEMBL8809486

SCHEMBL8809486

CCOC(=O)N1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
MAPT P10636 8/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1848808 0.84 SMO (0.46) PTPN11MAPTMEN1KMT2AALDH1A1
SCHEMBL1845477 0.81 ALDH1A1 (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL1846364 0.81 LMNA (0.42) PTPN11MAPTTP53KMT2AALDH1A1
SCHEMBL1844792 0.78 POLB (0.43) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL4293606 0.76 SMO (0.39) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL1848137 0.75 KDM4E (0.51) KMT2AALDH1A1TSHRKDM4E
SCHEMBL1847339 0.75 ALDH1A1 (0.48) TP53MEN1KMT2AALDH1A1HPGD
SCHEMBL1848688 0.75 ALDH1A1 (0.37) PTPN11MAPTMEN1KMT2AALDH1A1
SCHEMBL4837778 0.74 HSP90AA1 (0.33) MAPTMEN1KMT2AALDH1A1TSHR
Maleic Acid SCHEMBL2882692 0.74 POLB (0.42) PTPN11MAPTKMT2AALDH1A1SMN1; SMN2

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
EP-0257102-B1 AGENTS FOR TREATING NEUROPHATHY MITSUI PETROCHEMICAL IND (JP) 1997-11-19 EP disclosed
EP-0799617-A2 Therapeutic agent for neurological diseases MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-10-08 EP disclosed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP disclosed