SCHEMBL6952098

SCHEMBL6952098

CCc1ccccc1NC=C1C(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SHMT2 P34897 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL6952092 1.00 MAPT (0.39) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL8009327 0.90 MAPT (0.37) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL6952751 0.90 ALDH1A1 (0.49) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL8009323 0.90 MAPT (0.37) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL6952750 0.90 ALDH1A1 (0.49) MAPTTP53ALDH1A1KMT2AMEN1
SCHEMBL6947834 0.88 THRB (0.44) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6947838 0.88 THRB (0.44) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6947265 0.85 KAT8 (0.42) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6947262 0.85 KAT8 (0.42) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL6953049 0.85 ALDH1A1 (0.39) MAPTALDH1A1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP claimed