SCHEMBL8009130

SCHEMBL8009130

CCc1ccccc1N/C=C1/C(=O)N(c2cccc(NS(C)(=O)=O)c2)N=C1CCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.35
NR3C1 P04150 5/20 0.34
RAB9A P51151 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
THRB P10828 2/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
KCNK3 O14649 1/20 0.32

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
SCHEMBL8009132 1.00 PLA2G7 (0.35) PLA2G7NR3C1RAB9AKCNA5KCNH2
SCHEMBL8008601 0.91 KMT2A (0.34) PLA2G7NR3C1MAPTMEN1ALDH1A1
SCHEMBL8008599 0.91 KMT2A (0.34) PLA2G7NR3C1MAPTMEN1ALDH1A1
SCHEMBL6950541 0.90 ALDH1A1 (0.37) PLA2G7KCNA5KCNH2MAPTHTT
SCHEMBL6950538 0.90 ALDH1A1 (0.37) PLA2G7KCNA5KCNH2MAPTHTT
SCHEMBL6949877 0.89 MEN1 (0.35) PLA2G7NR3C1MAPTHTTMEN1
SCHEMBL6949879 0.89 MEN1 (0.35) PLA2G7NR3C1MAPTHTTMEN1
SCHEMBL6942638 0.84 ALDH1A1 (0.47) PLA2G7MAPTHTTMEN1ALDH1A1
SCHEMBL6942634 0.84 ALDH1A1 (0.47) PLA2G7MAPTHTTMEN1ALDH1A1
SCHEMBL6947861 0.82 KMT2A (0.40) MAPTHTTMEN1ALDH1A1KMT2A

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-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US claimed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed