SCHEMBL20550403

SCHEMBL20550403

c1ccc(Nc2ccc3ccccc3c2)cc1.c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
CDC25B P30305 5/20 0.73
HSD17B10 Q99714 3/20 0.73
CYP3A4 P08684 2/20 0.73
HPGD P15428 2/20 0.73
ALOX15 P16050 2/20 0.73
TSHR P16473 2/20 0.73
TP53 P04637 1/20 0.73
ATM Q13315 1/20 0.73
FADS1 O60427 1/20 0.61
RAB9A P51151 2/20 0.59
MAPT P10636 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
GLA P06280 1/20 0.58
RECQL P46063 1/20 0.58
MAPK14 Q16539 1/20 0.49

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
SCHEMBL557025 0.93 ALDH1A1 (0.66) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL29365372 0.93 ALDH1A1 (0.66) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL17422012 0.92 ALDH1A1 (0.61) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL9486043 0.91 ALDH1A1 (0.81) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL29609502 0.89 ALDH1A1 (0.92) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL4797443 0.89 ALDH1A1 (0.92) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL11962223 0.88 ALDH1A1 (0.69) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL28154822 0.88 ALDH1A1 (0.63) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
SCHEMBL4171779 0.88 ALDH1A1 (0.59) ALDH1A1CDC25BHSD17B10CYP3A4HPGD
Diphenylamine SCHEMBL1072941 0.88 ALDH1A1 (0.96) ALDH1A1CDC25BHSD17B10CYP3A4HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190309289-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2019-10-10 US disclosed
US-10370654-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2019-08-06 US disclosed
US-20180320170-A1 PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING ENEVOLV, INC. 2018-11-08 US disclosed