SCHEMBL8083470

SCHEMBL8083470

O=C1NN=C(O)C1c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 5/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 3/20 0.35
NOS2 P35228 1/20 0.35
PARP1 P09874 2/20 0.34
PBRM1 Q86U86 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 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
SCHEMBL2396347 0.66 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL31462136 0.65 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL6834834 0.64 MAPT (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8426250 0.63 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13580146 0.63 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL3075586 0.63 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10490942 0.62 MAPT (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL7678904 0.62 HSD17B10 (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL3985924 0.61 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL10681371 0.60 NOS2 (0.38) ALDH1A1MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025383-A Substituted thiophene derivatives as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-02-15 US claimed
US-6100220-A PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT 2000-08-08 US disclosed
US-6025383-A Substituted thiophene derivatives as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
US-5807805-A Substituted thiophene derivatives as pesticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0792272-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS PESTICIDES AND HERBICIDES BAYER AG (DE) 1997-09-03 EP disclosed
WO-1996016061-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed