SCHEMBL9318997

SCHEMBL9318997

Nc1cccc(Nc2cccc3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.67
ALDH1A1 P00352 2/20 0.67
ALOX15 P16050 2/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
ATM Q13315 1/20 0.67
HSD17B10 Q99714 1/20 0.67
FADS1 O60427 1/20 0.65
KDM4E B2RXH2 4/20 0.58
GAA P10253 4/20 0.58
MAPT P10636 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
GFER P55789 1/20 0.58
GLA P06280 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL31149855 0.89 TP53 (0.53) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL16011075 0.89 TP53 (0.53) CDC25BALDH1A1ALOX15TP53CYP3A4
Aniline SCHEMBL8010652 0.87 ALDH1A1 (0.81) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL10338322 0.87 CDC25B (0.80) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL27024556 0.83 GAA (0.55) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL28669674 0.82 GAA (0.50) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL94482 0.81 ALDH1A1 (0.71) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL29413845 0.81 ALDH1A1 (0.71) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL29813142 0.81 ALDH1A1 (0.71) CDC25BALDH1A1ALOX15TP53CYP3A4
SCHEMBL4397477 0.81 HSD17B10 (0.76) CDC25BALDH1A1ALOX15TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308523-A Butylene-ethylene-styrene terpolymer block copolymer TEXACO INC. (US) 1994-05-03 US claimed
US-5112508-A Maleinized Olefin Interpolymer reacted with an N-Naphthylphenylenediamine TEXACO, INC. (US) 1992-05-12 US claimed
US-5308523-A Butylene-ethylene-styrene terpolymer block copolymer TEXACO INC. (US) 1994-05-03 US disclosed
US-5112508-A Maleinized Olefin Interpolymer reacted with an N-Naphthylphenylenediamine TEXACO, INC. (US) 1992-05-12 US disclosed