SCHEMBL9838406

SCHEMBL9838406

CCCN(CCC)c1ccc(C(=CC(C=C(c2ccc(N(CCC)CCC)cc2)c2ccc(N(CCC)CCC)cc2)C(C#N)C(=O)OCC)c2ccc(N(CCC)CCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.37
EGFR P00533 2/20 0.37
ERBB2 P04626 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
GAA P10253 2/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL10426771 0.93 EGFR (0.39) ESRRGEGFRERBB2L3MBTL1SMN1; SMN2
SCHEMBL9838466 0.91 MAPT (0.42) ESRRGL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9839736 0.87 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9838421 0.80 ESRRG (0.38) ESRRGEGFRERBB2L3MBTL1SMN1; SMN2
SCHEMBL9839536 0.75 EGFR (0.43) ESRRGEGFRERBB2L3MBTL1MEN1
SCHEMBL9838222 0.73 EGFR (0.40) ESRRGEGFRERBB2ALDH1A1POLB
SCHEMBL9838241 0.71 CNR2 (0.43) ESRRGEGFRERBB2L3MBTL1SMN1; SMN2
SCHEMBL9840319 0.69 ALDH1A1 (0.40) ESRRGL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9838463 0.68 EGFR (0.46) ESRRGEGFRERBB2MEN1KMT2A
SCHEMBL9840321 0.66 CNR2 (0.43) ESRRGEGFRERBB2L3MBTL1SMN1; SMN2

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