SCHEMBL11024878

SCHEMBL11024878

CN(SN(C)C(=O)OCc1ccccc1)C(=O)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.42
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
LMNA P02545 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL11026369 0.85 L3MBTL1 (0.41) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL11026377 0.84 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL11022546 0.84 HCAR2 (0.47) ALDH1A1HPGDLMNAHCAR2TSHR
SCHEMBL11031469 0.83 MEN1 (0.46) ALDH1A1MAPTL3MBTL1KMT2ATGM2
SCHEMBL11024148 0.83 MMP1 (0.49) ALDH1A1MAPT
SCHEMBL11025887 0.81 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1
SCHEMBL11026487 0.80 HTT (0.48) ALDH1A1MAPTKMT2ALMNATSHR
SCHEMBL11028829 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1KMT2ATSHR
SCHEMBL11028408 0.79 IDO1 (0.44) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL10483236 0.78 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTDP1MAPK1

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-4479002-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, PESTICIDES UNION CARBIDE CORPORATION (US) 1984-10-23 US disclosed
US-4341795-A PESTICIDES; INSECTICIDES; MITICIDES UNION CARBIDE CORPORATION (US) 1982-07-27 US disclosed