SCHEMBL28384357

SCHEMBL28384357

CC(=O)Sc1nccn1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.40
TP53 P04637 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HPSE Q9Y251 1/20 0.31
ATM Q13315 1/20 0.31
GLA P06280 1/20 0.31
ALOX15 P16050 1/20 0.31
CHRM5 P08912 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8607795 0.73 GLA (0.50) LMNATP53L3MBTL1MEN1ALDH1A1
SCHEMBL28198306 0.69 SMN1; SMN2 (0.37) LMNATHRBMEN1ALDH1A1KMT2A
SCHEMBL27700737 0.67 LMNA (0.40) LMNATHRBTP53L3MBTL1ALDH1A1
SCHEMBL25545471 0.67 LMNA (0.52) LMNATHRBTP53L3MBTL1MEN1
SCHEMBL25545477 0.65 L3MBTL1 (0.69) LMNATHRBTP53L3MBTL1ALDH1A1
SCHEMBL23214501 0.64 GRK6 (0.41) ALDH1A1TSHR
SCHEMBL18711314 0.64 SPR (0.44) MEN1KMT2AATM
SCHEMBL25545519 0.64 LMNA (0.52) LMNATHRBTP53L3MBTL1ATM
SCHEMBL25601807 0.62 LMNA (0.42) LMNATHRBTP53ALDH1A1HPSE
SCHEMBL20851567 0.62 F10 (0.41) LMNAALDH1A1TSHR

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-107522661-B Preparation method of 2-mercapto-1-alkyl imidazole 浦拉司科技(上海)有限责任公司 2020-01-07 CN disclosed
CN-107522661-A A kind of preparation method of the alkyl imidazole of 2 sulfydryl 1 浦拉司科技(上海)有限责任公司 2017-12-29 CN disclosed