SCHEMBL19286201

SCHEMBL19286201

C[C@@H](NC(=S)N[C@H]1c2ccccc2C[C@@H]1O)[C@@H]1CCCC1(C)P(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MMP1 P03956 5/20 0.36
MMP9 P14780 5/20 0.36
MMP2 P08253 4/20 0.36
MMP8 P22894 4/20 0.36
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NAMPT P43490 1/20 0.31
P2RX7 Q99572 1/20 0.31
VIPR2 P41587 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL19286187 0.78 MEN1 (0.42) MEN1ALDH1A1KMT2APSEN1PSEN2
SCHEMBL19286247 0.77 ALPL (0.42) MEN1KMT2A
SCHEMBL19286314 0.77 ALPL (0.42) MEN1KMT2A
SCHEMBL19286267 0.76 ALDH1A1 (0.33) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL17470024 0.72 MEN1 (0.41) MEN1ALDH1A1KMT2APSEN1PSEN2
SCHEMBL19286276 0.71 LMNA (0.30)
SCHEMBL19286217 0.71 LTC4S (0.44)
SCHEMBL19286193 0.70 MAPT (0.48) MEN1ALDH1A1KMT2A
SCHEMBL19286197 0.70 MAPT (0.48) MEN1ALDH1A1KMT2A
SCHEMBL17470123 0.69 MEN1 (0.41) MEN1ALDH1A1KMT2APSEN1PSEN2

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
US-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 US disclosed