SCHEMBL5175161

SCHEMBL5175161

Nc1c(CCO)cc(NCCO)c([N+](=O)[O-])c1CCO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10580316 0.89 MAPT (0.42) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL10580564 0.86 RAB9A (0.43) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL10577382 0.85 MAPT (0.40) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL10579602 0.84 POLB (0.39) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL210590 0.83 MAPT (0.43) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL211655 0.80 HTT (0.39) MAPTGAAALDH1A1POLBTSHR
SCHEMBL10580519 0.79 RAB9A (0.41) MAPTGAAKMT2AALDH1A1POLB
SCHEMBL8849833 0.79 SNCA (0.38) GAAALDH1A1POLBTSHR
SCHEMBL29596884 0.78 KMT2A (0.47) MAPTKMT2AALDH1A1POLBTDP1
SCHEMBL10576372 0.77 POLB (0.38) MAPTGAAKMT2AALDH1A1POLB

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-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP claimed
EP-1787631-A1 New dye precursor combinations HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-23 EP disclosed