SCHEMBL29641409

SCHEMBL29641409

O=C(NO)c1csc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
ALDH1A1 P00352 1/20 0.51
MPL P40238 2/20 0.50
TLR7 Q9NYK1 4/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
IDE P14735 1/20 0.45
MAPK10 P53779 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
KMO O15229 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43

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
SCHEMBL18003046 0.79 RAB9A (0.58) ALDH1A1MPLLMNAMAPTRAB9A
SCHEMBL31703828 0.77 ALDH1A1 (0.44) ALDH1A1TLR7MAPK1LMNAMAPT
SCHEMBL629896 0.76 LMNA (0.65) ALDH1A1MPLLMNAMAPTGAA
SCHEMBL18002560 0.74 MPL (0.51) ALDH1A1MPLMAPTKMO
SCHEMBL26135947 0.73 MPL (0.61) ALDH1A1MPLMAPK1LMNAMAPT
SCHEMBL23743187 0.73 MPL (0.64) ALDH1A1MPLMAPK1LMNAMAPT
SCHEMBL13150483 0.71 MPL (0.51) ALDH1A1MPLLMNAMAPTGAA
SCHEMBL29370831 0.69 HDAC6 (0.69) HDAC6HDAC1HDAC8ALDH1A1TLR7
SCHEMBL17400523 0.69 ABL1 (0.70) ALDH1A1MPLMAPK1RAB9ANPC1
SCHEMBL27830720 0.69 MPL (0.46) ALDH1A1MPLKMO

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
EP-3578712-B1 TREATMENT AGENT FOR TREATING FIBERS, FIBERS AND PRODUCTION METHOD THEREFOR, AND FIBER SHEET AND PRODUCTION METHOD THEREFOR SHOWA DENKO MATERIALS CO LTD (JP) 2022-06-08 EP disclosed