SCHEMBL8801657

SCHEMBL8801657

CC(=O)Nc1cc[n+]([O-])c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HSD17B10 Q99714 2/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL10620933 0.74 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL10479917 0.73 PKM (0.47) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL29154707 0.71 RXFP1 (0.49) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL14817806 0.70 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL501371 0.69 HSD17B10 (0.46) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL18000415 0.68 TSHR (0.41) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL8718307 0.66 MAPT (0.55) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL30702637 0.66 ALDH1A1 (0.70) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL2307143 0.66 ALDH1A1 (0.70) ALDH1A1HPGDMEN1KMT2ATDP1
SCHEMBL28997213 0.64 HPGD (0.47) ALDH1A1HPGDMEN1KMT2ATDP1

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-0681581-B1 SUBSTITUTED FUSED PYRAZOLO COMPOUNDS AND THEIR USE AS HERBICIDES ZENECA LTD (GB) 1997-09-10 EP disclosed
EP-0681581-A1 SUBSTITUTED FUSED PYRAZOLO COMPOUNDS AND THEIR USE AS HERBICIDES. ZENECA LTD (GB) 1995-11-15 EP disclosed
US-5430007-A Certain herbicidal pyrazolopyridazines ZENECA LIMITED (GB) 1995-07-04 US disclosed
WO-1994017062-A1 SUBSTITUTED FUSED PYRAZOLO COMPOUNDS AND THEIR USE AS HERBICIDES ZENECA LIMITED (GB) 1994-08-04 WO disclosed
US-5300478-A Herbicides ZENECA LIMITED (GB) 1994-04-05 US disclosed