SCHEMBL8062145

SCHEMBL8062145

[CH2]C(C)n1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.44
RAB9A P51151 1/20 0.43
DGAT1 O75907 1/20 0.43
MGAM O43451 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL14422298 0.84 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL1083846 0.84 ALDH1A1 (0.58) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL9220916 0.84 SLC9A1 (0.55) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL13679333 0.81 SLC9A1 (0.48) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL23791679 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL14149860 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL1866263 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL17676626 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL12994866 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB
SCHEMBL7377982 0.81 SLC9A1 (0.52) SLC9A1KEAP1ALDH1A1CYP1A2POLB

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-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed