SCHEMBL11527982

SCHEMBL11527982

CCNC(=S)N(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.56
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
AOC3 Q16853 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPY5R Q15761 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL11524887 0.83 CA12 (0.56) ABCC1SMN1; SMN2ALPLGAAHPGD
SCHEMBL11528815 0.83 ABCC1 (0.58) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL7226798 0.75 AOC3 (0.57) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL28128867 0.74 ABCC1 (0.50) ABCC1TAAR1SMN1; SMN2AOC3SIGMAR1
SCHEMBL11527812 0.74 GAA (0.65) SMN1; SMN2ALPLGAAHPGDALOX12
SCHEMBL10090413 0.73 KMT2A (0.57) SMN1; SMN2ALPLGAAHPGDALOX12
SCHEMBL2796515 0.72 TAAR1 (0.52) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL14464159 0.72 KMT2A (0.55) SMN1; SMN2ALPLGAAHPGDALOX12
SCHEMBL28343162 0.72 SMN1; SMN2 (0.51) TAAR1SMN1; SMN2ALPLGAAHPGD
SCHEMBL11530304 0.71 ALDH1A1 (0.60) SMN1; SMN2GAAHPGDL3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed