SCHEMBL19286185

SCHEMBL19286185

C[C@@H](NC(=S)N[C@H]1c2ccccc2C[C@@H]1N)[C@@H]1CCCC1P(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
HTT P42858 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
SCHEMBL19286187 0.90 MEN1 (0.42) ALDH1A1MEN1KMT2APSEN1PSEN2
SCHEMBL19286178 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHTT
SCHEMBL19286293 0.78
SCHEMBL19286285 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTT
SCHEMBL19286179 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTT
SCHEMBL19286273 0.73 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHTT
SCHEMBL17470029 0.72 MEN1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL19286180 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AHTT
SCHEMBL19286191 0.72 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AHTT
SCHEMBL19286176 0.71 MAPT (0.50) ALDH1A1MEN1KMT2AHTT

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