SCHEMBL29464010

SCHEMBL29464010

NC(=S)N[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 0.45
P2RX7 Q99572 1/20 0.45
MMP9 P14780 6/20 0.44
MMP1 P03956 5/20 0.44
MMP2 P08253 5/20 0.44
MMP8 P22894 5/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
ADAMTS4 O75173 1/20 0.40
ADAMTS5 Q9UNA0 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
SCHEMBL29464011 1.00 MEN1 (0.51) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL31034502 0.83 NAMPT (0.51) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL18403452 0.83 NAMPT (0.51) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL18251115 0.79 AURKA (0.43) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL18539300 0.79 AURKA (0.43) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL18141994 0.78 NAMPT (0.52) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL3328510 0.78 NAMPT (0.52) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL1665424 0.78 NAMPT (0.52) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL17923298 0.78 NAMPT (0.52) MEN1ALDH1A1KMT2ANAMPTP2RX7
SCHEMBL5802535 0.78 NAMPT (0.52) MEN1ALDH1A1KMT2ANAMPTP2RX7

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-113138184-B Substrate material for detecting racemic chiral center compounds 同济大学 2022-04-19 CN disclosed