SCHEMBL8809481

SCHEMBL8809481

CCOC(=O)CN1Cc2nc(N3CCN(Cc4ccccc4)CC3)ncc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
TP53 P04637 1/20 0.42
TRPA1 O75762 1/20 0.42
PRMT1 Q99873 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8815121 0.86 HTT (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9685234 0.85 HTT (0.62) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9686172 0.84 LMNA (0.60) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9686619 0.82 LMNA (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8808754 0.81 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8898023 0.79 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9684514 0.79 LMNA (0.67) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9686720 0.77 HTT (0.61) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL9685116 0.76 HTT (0.63) HTTLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL8811620 0.76 HTT (0.58) HTTLMNAALDH1A1SMN1; SMN2TSHR

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 4 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
US-4959368-A PYRIMIDINE DERIVATIVES MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1990-09-25 US disclosed
EP-0257102-A1 AGENTS FOR TREATING NEUROPHATHY Mitsui Chemicals, Inc. (JP) 1988-03-02 EP disclosed