SCHEMBL27639799

SCHEMBL27639799

COc1cc(N)ccc1COC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
MAPT P10636 3/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
NR4A1 P22736 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAD52 P43351 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL19860802 0.84 APLNR (0.51) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL29144074 0.83 KDM4C (0.45) GAAMAPTHTTALDH1A1KDM4E
SCHEMBL21306867 0.81 CA12 (0.60) TSHRMAPK1HTTSMN1; SMN2MEN1
SCHEMBL28576874 0.80 PRSS1 (0.52) MAPTTSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL27460313 0.80 MAPT (0.36) GAAMAPTTSHRMAPK1HTT
SCHEMBL14320533 0.79 MAPT (0.71) GAAMAPTTSHRMAPK1HTT
SCHEMBL28915458 0.79 AR (0.40) GAAMAPTTSHRALDH1A1KDM4E
SCHEMBL113807 0.78 IDO1 (0.59) GAAMAPTHTTALDH1A1KDM4E
SCHEMBL28587652 0.78 RECQL (0.52) GAAMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL3008120 0.77 MAPT (0.74) GAAMAPTTSHRMAPK1HTT

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-1761464-A Substituted p-diaminobenzene derivatives LUNDBECK & CO AS H (DK) 2006-04-19 CN disclosed