SCHEMBL9099213

SCHEMBL9099213

CN(C)C(=CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
RECQL P46063 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKT1 P31749 2/20 0.47
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PLIN1 O60240 1/20 0.42

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
SCHEMBL10933652 0.86 KMT2A (0.46) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL27490875 0.86 KMT2A (0.46) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL27714274 0.84 KMT2A (0.44) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL17553130 0.83 TSHR (0.47) KMT2AMEN1RECQLALDH1A1MAPK1
SCHEMBL9869968 0.80 CYP1A2 (0.64) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL15868826 0.80 CYP1A2 (0.64) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL9869964 0.80 CYP1A2 (0.64) NFE2L2KMT2AMEN1HDAC1HDAC2
SCHEMBL11015842 0.78 CYP1A2 (0.71) KMT2AMEN1HDAC1HDAC2HDAC3
SCHEMBL9587360 0.77 MAPT (0.49) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL20414337 0.76 ALDH1A1 (0.50) KMT2AMEN1RECQLALDH1A1MAPT

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-0245505-B2 TERMINAL-MODIFIED BLOCK COPOLYMER AND COMPOSITION CONTAINING SAID COPOLYMER ASAHI CHEMICAL IND (JP) 1996-08-14 EP disclosed