SCHEMBL19286272

SCHEMBL19286272

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 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
SCHEMBL19286286 0.90 RECQL (0.32) RECQLALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL19286184 0.78 GAA (0.31) RECQL
SCHEMBL19286273 0.76 ALDH1A1 (0.34) ALDH1A1NPC1MEN1KMT2AALPL
SCHEMBL19286179 0.76 ALDH1A1 (0.34) ALDH1A1NPC1MEN1KMT2AALPL
SCHEMBL19286180 0.74 ALDH1A1 (0.36) RECQLALDH1A1MEN1KMT2A
SCHEMBL19286296 0.73 CCR6 (0.32)
SCHEMBL19286178 0.73 ALDH1A1 (0.35) RECQLALDH1A1NPC1MEN1KMT2A
SCHEMBL19286253 0.72 MEN1 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL19286285 0.72 ALDH1A1 (0.34) RECQLALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL24001202 0.71 SLC6A4 (0.42) RECQLALDH1A1MEN1KMT2A

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