SCHEMBL19286248

SCHEMBL19286248

Cc1cc(C)cc(NC(=S)N[C@H](C)C2=C(P(c3ccccc3)c3ccccc3)C=CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
QPCT Q16769 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL17470122 0.85 MAPT (0.51) GAAHTTALDH1A1MAPTLMNA
SCHEMBL19286292 0.82 HTT (0.42) GAAHTTALDH1A1MAPTLMNA
SCHEMBL17470003 0.82 GAA (0.38) GAAALOX12HTTNPC1RAB9A
SCHEMBL19286230 0.82 MEN1 (0.42) GAAALOX12HTTNPC1RAB9A
SCHEMBL17470112 0.81 HTT (0.37) ALOX12HTTQPCT
SCHEMBL17470166 0.79 ALDH1A1 (0.41) GAAALDH1A1MAPTLMNAMEN1
SCHEMBL17470167 0.77 ALPL (0.32)
SCHEMBL17470043 0.76 HTT (0.33) HTTALDH1A1QPCT
SCHEMBL17470110 0.75 MTOR (0.41) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL15344715 0.74

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