SCHEMBL8943787

SCHEMBL8943787

c1ccc2c(Nc3ccc(OCCCCCCCCOc4ccc(Nc5cccc6ccccc56)cc4Nc4cccc5ccccc45)c(Nc4cccc5ccccc45)c3)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.49
CDC25B P30305 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.48
SLC6A4 P31645 2/20 0.43
KCNA3 P22001 1/20 0.43
CNR2 P34972 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
HRH1 P35367 1/20 0.41
HTR1B P28222 2/20 0.41
CNR1 P21554 1/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL8943911 0.88 RAB9A (0.40) FADS1CDC25BALDH1A1HPGDTSHR
SCHEMBL8944034 0.81 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4KCNA3
SCHEMBL8943966 0.81 CDC25B (0.55) CDC25BALDH1A1TSHRHSD17B10
SCHEMBL8943652 0.81 HTR1B (0.38) SLC6A4KCNA3CNR2HRH1HTR1B
SCHEMBL8943795 0.78 SLC6A4 (0.50) CDC25BALDH1A1HPGDTSHRHSD17B10
SCHEMBL249337 0.75 CNR1 (0.57) CDC25BSLC6A4KCNA3CNR2CDC25A
SCHEMBL8944255 0.74 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CYP3A4DHFR
SCHEMBL10338322 0.73 CDC25B (0.80) FADS1CDC25BALDH1A1HPGDTSHR
SCHEMBL29619354 0.73 HSD17B10 (0.87) FADS1CDC25BALDH1A1HPGDTSHR
SCHEMBL651572 0.73 HSD17B10 (0.87) FADS1CDC25BALDH1A1HPGDTSHR

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