SCHEMBL8943966

SCHEMBL8943966

COc1ccc(Nc2ccc(OCCCCCCCCOc3ccc(Nc4ccc(OC)c5ccccc45)cc3Nc3ccc(OC)c4ccccc34)c(Nc3ccc(OC)c4ccccc34)c2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.55
EGFR P00533 4/20 0.44
GAK O14976 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
RIPK2 O43353 1/20 0.42
COQ8A Q8NI60 1/20 0.42
NLK Q9UBE8 1/20 0.42
SLC2A1 P11166 2/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
HTT P42858 2/20 0.39
ERBB2 P04626 1/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8943787 0.81 FADS1 (0.49) CDC25BALDH1A1HSD17B10TSHR
SCHEMBL8943979 0.79 CDC25B (0.51) CDC25BSLC2A1ALDH1A1HSD17B10LMNA
SCHEMBL8944395 0.76 MAPT (0.52) EGFRHTTMEN1KMT2AALDH1A1
SCHEMBL8944034 0.76 ALDH1A1 (0.50) CTSVCTSLHDAC1MEN1KMT2A
SCHEMBL4594920 0.75 CDC25B (0.67) CDC25BGAKABCG2RIPK2COQ8A
SCHEMBL8943911 0.75 RAB9A (0.40) CDC25BEGFRCTSVCTSLERBB2
SCHEMBL8944010 0.75 MAPT (0.53) EGFRHTTMEN1KMT2AALDH1A1
SCHEMBL4594590 0.74 RAB9A (0.64) CDC25BHTTMEN1KMT2AALDH1A1
SCHEMBL8943652 0.73 HTR1B (0.38) ABCG2SLC2A1MEN1KMT2AL3MBTL1
SCHEMBL16285325 0.73 CDC25B (0.54) CDC25BEGFRGAKABCG2RIPK2

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
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed