SCHEMBL7472041

SCHEMBL7472041

COC(=O)N(NN)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 3/20 0.49
TACR3 P29371 5/20 0.46
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 2/20 0.40
ATM Q13315 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
SCHEMBL28352428 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1KMT2ATACR3
SCHEMBL28703250 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1KMT2ATACR3
SCHEMBL4241780 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1KMT2ATACR3
SCHEMBL28019223 0.79 NPSR1 (0.50) ALDH1A1L3MBTL1TDP1KMT2AMAPT
SCHEMBL5624200 0.79 TDP1 (0.46) ALDH1A1L3MBTL1TDP1KMT2ANPSR1
Hydrochloric Acid SCHEMBL4233000 0.78 L3MBTL1 (0.46) ALDH1A1L3MBTL1TDP1KMT2ATACR3
SCHEMBL7417080 0.78 TDP1 (0.44) ALDH1A1L3MBTL1TDP1KMT2AMAPT
SCHEMBL9631330 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1KMT2ATACR3
SCHEMBL4107497 0.76 L3MBTL1 (0.47) ALDH1A1L3MBTL1TDP1KMT2AMAPT
SCHEMBL5696331 0.75 L3MBTL1 (0.49) ALDH1A1L3MBTL1TDP1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923562-B1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 2002-10-09 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0923562-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006706-A1 SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed