SCHEMBL30875697

SCHEMBL30875697

COc1cc(CCO)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
TTR P02766 1/20 0.51
CHEK1 O14757 5/20 0.50
MAPT P10636 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.48
SIRT6 Q8N6T7 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8867665 1.00 SMN1; SMN2 (0.52) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL8867007 0.88 SMN1; SMN2 (0.67) SMN1; SMN2TTRCYP1A2CYP3A4CYP2C19
SCHEMBL29750606 0.87 TTR (0.64) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL704754 0.87 TTR (0.64) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL8867650 0.86 ALDH1A1 (0.50) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL10410570 0.84 KDM4E (0.60) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL9384459 0.84 KCNH2 (0.49) SMN1; SMN2TTRCHEK1MAPTCYP1A2
SCHEMBL9384240 0.84 MAPT (0.50) SMN1; SMN2TTRMAPTCYP1A2CYP3A4
SCHEMBL2030062 0.82 ALDH1A1 (0.47) SMN1; SMN2TTRMAPTCYP1A2CYP3A4
SCHEMBL1531355 0.82 ALDH1A1 (0.53) SMN1; SMN2TTRCHEK1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed