SCHEMBL29138096

SCHEMBL29138096

Nc1c(OCC=O)nn2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.39
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MIF P14174 2/20 0.32
MAP4K4 O95819 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
PDE5A O76074 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1840926 0.80 EGFR (0.42) EGFRDRD2DRD4DRD3MIF
SCHEMBL3850868 0.80 EGFR (0.42) EGFRDRD2DRD4DRD3MIF
Hydrochloric Acid SCHEMBL1841281 0.79 EGFR (0.41) EGFRDRD2DRD4DRD3MIF
Hydrochloric Acid SCHEMBL3318724 0.79 EGFR (0.41) EGFRDRD2DRD4DRD3MIF
SCHEMBL1231181 0.78 EGFR (0.40) EGFRDRD2DRD4DRD3MIF
SCHEMBL16078200 0.78 EGFR (0.40) EGFRDRD2DRD4DRD3MIF
SCHEMBL14838064 0.77 EGFR (0.38) EGFRDRD2DRD4DRD3MIF
Hydrochloric Acid SCHEMBL28381678 0.77 ALOX15 (0.40) EGFRMIFALDH1A1MEN1PDE5A
SCHEMBL19688875 0.77 EGFR (0.39) EGFRDRD2DRD4DRD3MIF
Hydrochloric Acid SCHEMBL1840928 0.77 EGFR (0.39) EGFRDRD2DRD4DRD3MIF

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
CN-117396185-A Hair dyeing composition 威娜国际运营瑞士责任有限公司 2024-01-12 CN disclosed