SCHEMBL6168872

SCHEMBL6168872

O=CN(c1ccc(N2CCCC2)o1)n1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 5/20 0.33
MAPT P10636 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
IDE P14735 1/20 0.30
GPR35 Q9HC97 1/20 0.30
TNNI3 P19429 1/20 0.30

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
SCHEMBL6168779 0.78 SMN1; SMN2 (0.51) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6170954 0.77
SCHEMBL6167353 0.75
SCHEMBL6207829 0.69
SCHEMBL6167566 0.67 SMN1; SMN2 (0.42) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6169495 0.67 POLB (0.42) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6167761 0.67 POLB (0.42) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6169230 0.66 POLB (0.47) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6168118 0.66 POLB (0.41) POLBSMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL17049309 0.65 CYP19A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498109-A1 Furan derivatives and dyeing composition comprising a furan derivative as coupler L'OREAL (FR) 2005-01-19 EP claimed
EP-1498109-A1 Furan derivatives and dyeing composition comprising a furan derivative as coupler L'OREAL (FR) 2005-01-19 EP disclosed