SCHEMBL8008601

SCHEMBL8008601

CCc1ccccc1NC=C1C(=O)N(c2ccc(NS(C)(=O)=O)cc2)N=C1CCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.34
PTGS2 P35354 2/20 0.34
KAT8 Q9H7Z6 1/20 0.34
DDX3X O00571 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
NR3C1 P04150 4/20 0.34
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
MAPK1 P28482 2/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
HPGD P15428 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PTGS1 P23219 1/20 0.32
SIRT5 Q9NXA8 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
SCHEMBL8008599 1.00 KMT2A (0.34) KMT2APTGS2KAT8DDX3XITGB3
SCHEMBL8009132 0.91 PLA2G7 (0.35) KMT2ANR3C1MEN1ALDH1A1MAPT
SCHEMBL8009130 0.91 PLA2G7 (0.35) KMT2ANR3C1MEN1ALDH1A1MAPT
SCHEMBL6953049 0.89 ALDH1A1 (0.39) KMT2APTGS2KAT8DDX3XMEN1
SCHEMBL6953052 0.89 ALDH1A1 (0.39) KMT2APTGS2KAT8DDX3XMEN1
SCHEMBL8011511 0.88 KMT2A (0.39) KMT2AKAT8MEN1ALDH1A1MAPT
SCHEMBL8011510 0.88 KMT2A (0.39) KMT2AKAT8MEN1ALDH1A1MAPT
SCHEMBL8008609 0.86 KMT2A (0.37) KMT2AKAT8MEN1ALDH1A1MAPT
SCHEMBL8008612 0.86 KMT2A (0.37) KMT2AKAT8MEN1ALDH1A1MAPT
SCHEMBL8009327 0.86 MAPT (0.37) KMT2AMEN1ALDH1A1MAPTTHRB

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