SCHEMBL10596233

SCHEMBL10596233

CCCCN(CCCC)c1ccc(Nc2ccc(Nc3ccc(N(CC)CC)c4c3C3(OC4=O)c4ccccc4Oc4ccccc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
MCL1 Q07820 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10387584 0.93 EGFR (0.41) EGFRMEN1ALDH1A1KMT2AHPGD
SCHEMBL6652999 0.88 ALDH1A1 (0.35) EGFRALDH1A1HPGDNPSR1CYP3A4
SCHEMBL5564910 0.85 PGR (0.32) CYP3A4
SCHEMBL10706750 0.83 EGFR (0.40) EGFRMEN1ALDH1A1KMT2AHPGD
SCHEMBL9855468 0.81 CYP3A4 (0.33) ALDH1A1HPGDCYP3A4
SCHEMBL10447181 0.81 PGR (0.38) EGFRALDH1A1HPGDCYP3A4
SCHEMBL9442975 0.80 CYP3A4 (0.37) MEN1ALDH1A1KMT2AHPGDMAPT
SCHEMBL6440383 0.80 EGFR (0.44) EGFRMEN1ALDH1A1KMT2AHPGD
SCHEMBL10590407 0.79 EGFR (0.40) EGFRMEN1ALDH1A1KMT2AHPGD
SCHEMBL4379777 0.79 CYP3A4 (0.35) MEN1ALDH1A1KMT2AHPGDMAPT

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-0325231-A2 Heat-sensitive recording material NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1989-07-26 EP disclosed