SCHEMBL6938256

SCHEMBL6938256

COc1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KAT2B Q92831 2/20 0.52
HCAR3 P49019 3/20 0.52
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PRSS1 P07477 1/20 0.51

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
SCHEMBL1009970 0.93 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL21815032 0.87 MAPT (0.64) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL17934170 0.86 MAPT (0.57) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL4233854 0.86 HCAR3 (0.60) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL17934215 0.85 MAPT (0.62) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL10804569 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL2472513 0.84 KAT2B (0.60) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL9035462 0.84 TDP1 (0.60) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL16407600 0.84 MAPT (0.55) MEN1KMT2ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL10781769 0.83 KAT2B (0.61) MEN1KMT2ASMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971681-B1 MEANS AND METHOD FOR DYING AND COLORING KERATIN FIBERS SCHWARZKOPF GMBH HANS (DE) 2003-05-02 EP disclosed
EP-0971681-A1 MEANS AND METHOD FOR DYING AND COLORING KERATIN FIBERS Hans Schwarzkopf GmbH & Co. KG (DE) 2000-01-19 EP disclosed
WO-1998038976-A1 MEANS AND METHOD FOR DYING AND COLORING KERATIN FIBERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-09-11 WO disclosed