SCHEMBL28838516

SCHEMBL28838516

O=C(c1ccccc1)C(SCN1CCOCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
LMNA P02545 6/20 0.56
MAPT P10636 6/20 0.56
ATM Q13315 2/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
HIF1A Q16665 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 3/20 0.52
MITF O75030 2/20 0.52
HSP90AA1 P07900 1/20 0.52
NTSR1 P30989 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.50
JAK2 O60674 2/20 0.47
PAX8 Q06710 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL6320116 0.77 SMN1; SMN2 (0.81) ALDH1A1LMNAMAPTATMHTT
SCHEMBL5617142 0.73 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTTHIF1A
SCHEMBL10584214 0.72 ALDH1A1 (0.97) ALDH1A1LMNAMAPTATMHTT
SCHEMBL5496428 0.72 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHTTHIF1A
SCHEMBL11396095 0.72 ALDH1A1 (0.63) ALDH1A1LMNAMAPTATMHTT
SCHEMBL2468109 0.72 LMNA (0.73) ALDH1A1LMNAMAPTATMHTT
Benzoin SCHEMBL11396099 0.71 ALDH1A1 (0.62) ALDH1A1LMNAMAPTATMHTT
SCHEMBL7713764 0.70 MAPT (0.77) ALDH1A1LMNAMAPTATMHTT
SCHEMBL7719197 0.70 ALDH1A1 (0.71) ALDH1A1LMNAMAPTATMHTT
SCHEMBL5793312 0.69 TDP1 (0.59) ALDH1A1LMNAMAPTATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115398337-A Photosensitive element and method for forming resist pattern 旭化成株式会社 2022-11-25 CN disclosed
CN-110167980-B Composition for forming cured film, alignment material, and phase difference material 日产化学株式会社 2022-09-20 CN disclosed