SCHEMBL9838517

SCHEMBL9838517

CCN(CC)c1ccc(C(=CC(C=C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)C(C(C)=O)C(C)=O)c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.47
POLB P06746 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 3/20 0.47
MCL1 Q07820 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
ALDH1A1 P00352 9/20 0.45
TSHR P16473 3/20 0.45
ESRRG P62508 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
HPGD P15428 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 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
SCHEMBL9839536 0.88 EGFR (0.43) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9838463 0.86 EGFR (0.46) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9839532 0.83 CNR2 (0.48) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9838206 0.83 ALDH1A1 (0.48) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9749967 0.77 ALDH1A1 (0.46) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9840319 0.76 ALDH1A1 (0.40) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9839605 0.73 CNR2 (0.40) MAPTPOLBMEN1KMT2AGAA
SCHEMBL9838466 0.73 MAPT (0.42) MAPTPOLBMEN1KMT2AGAA
SCHEMBL8419357 0.73 ALDH1A1 (0.44) MAPTPOLBMEN1KMT2AGAA
Bromide SCHEMBL8983026 0.73 ALDH1A1 (0.45) MAPTPOLBMEN1KMT2AGAA

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-5057154-A Colorfastness, stability RICOH COMPANY, LTD. (JP) 1991-10-15 US disclosed
US-4939117-A Leuco dyes and recording material employing the same RICOH COMPANY, LTD. (JP) 1990-07-03 US disclosed