SCHEMBL8383467

SCHEMBL8383467

Nc1c(N)c(Cl)c2c(c1Cl)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
BRCA1 P38398 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX12 P18054 2/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
FTO Q9C0B1 10/20 0.55
RECQL P46063 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
SMAD3 P84022 2/20 0.52
BLM P54132 2/20 0.52
HTT P42858 2/20 0.52
CYP2C19 P33261 1/20 0.52
PRMT1 Q99873 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
THRB P10828 2/20 0.43

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
SCHEMBL8214514 0.94 ALDH1A1 (0.58) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL9068067 0.91 ALDH1A1 (0.58) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL30887310 0.88 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL29361906 0.88 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL30887311 0.88 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL134733 0.88 ALDH1A1 (0.63) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL5453230 0.87 ALDH1A1 (0.62) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL8385577 0.87 HPGD (0.51) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL8518074 0.82 HPGD (0.51) ALDH1A1HPGDBRCA1HSD17B10ALOX12
SCHEMBL8386327 0.82 HPGD (0.51) ALDH1A1HPGDBRCA1HSD17B10ALOX12

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-5874590-A Diaminofluorescein derivative Nagano, Tetsuo (JP) 1999-02-23 US disclosed