SCHEMBL9870004

SCHEMBL9870004

CC(=O)c1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
ERN1 O75460 1/20 0.39
CTSD P07339 1/20 0.38

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
SCHEMBL220779 0.84 TDP1 (0.46) TDP1GPR35TSHRL3MBTL1ALDH1A1
SCHEMBL7321325 0.81 ALDH1A1 (0.45) TDP1TSHRHSD17B10ALDH1A1KMT2A
SCHEMBL8011477 0.81 ALDH1A1 (0.43) TDP1GPR35TSHRHSD17B10L3MBTL1
SCHEMBL8016292 0.77 TDP1 (0.40) TDP1GPR35TSHRHSD17B10L3MBTL1
SCHEMBL9536173 0.75 KMT2A (0.47) TDP1GPR35L3MBTL1ALDH1A1MEN1
SCHEMBL9771589 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8374 0.73 TDP1 (0.54) TDP1GPR35TSHRHSD17B10L3MBTL1
SCHEMBL41322 0.73 GPR35 (0.54) TDP1GPR35TSHRHSD17B10L3MBTL1
SCHEMBL3063032 0.71 KDM4E (0.35) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL33832 0.71 TDP1 (0.46) TDP1GPR35TSHRHSD17B10L3MBTL1

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-5071468-A Cereal selectivity SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-12-10 US disclosed
EP-0375076-A1 Heterocyclic herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-27 EP disclosed