SCHEMBL8009323

SCHEMBL8009323

CCc1ccccc1N/C=C1/C(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)N=C1CCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 7/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SHMT2 P34897 1/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 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
SCHEMBL8009327 1.00 MAPT (0.37) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL6952092 0.90 MAPT (0.39) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL6952098 0.90 MAPT (0.39) MAPTTP53ALDH1A1PKMKMT2A
SCHEMBL8008685 0.89 THRB (0.43) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL8008686 0.89 THRB (0.43) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL8008601 0.86 KMT2A (0.34) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL8008599 0.86 KMT2A (0.34) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL8009348 0.86 MAPT (0.48) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL8009336 0.86 MAPT (0.48) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL8009339 0.86 MAPT (0.48) MAPTALDH1A1PKMKMT2AMEN1

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