SCHEMBL9840319

SCHEMBL9840319

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
MAPT P10636 10/20 0.40
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
MAPK1 P28482 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
POLB P06746 5/20 0.40
RECQL P46063 3/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
GAA P10253 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL9838421 0.88 ESRRG (0.38) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9838222 0.86 EGFR (0.40) ALDH1A1POLBGAAKDM4EESRRG
SCHEMBL9840374 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9838466 0.79 MAPT (0.42) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9749967 0.77 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9838517 0.76 MAPT (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL8419357 0.73 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
Bromide SCHEMBL8983026 0.73 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14283581 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10472246 0.73 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1

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