SCHEMBL7590691

SCHEMBL7590691

CN(C)Cc1cc(N)ccc1O.Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.54
ACHE P22303 3/20 0.53
CA2 P00918 3/20 0.50
THRB P10828 2/20 0.50
CA1 P00915 1/20 0.50
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
G6PD P11413 1/20 0.47
PABPC1 P11940 1/20 0.47
KMT2A Q03164 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 2/20 0.40

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
SCHEMBL29834174 0.87 PRKCI (0.69) PRKCIACHECA2THRBCA1
SCHEMBL3338265 0.87 PRKCI (0.69) PRKCIACHECA2THRBCA1
SCHEMBL1664066 0.79 SLC6A4 (0.64) PRKCIACHETHRBHTR2ASLC6A4
SCHEMBL30402664 0.79 SLC6A4 (0.64) PRKCIACHETHRBHTR2ASLC6A4
SCHEMBL3197622 0.78 SLC6A4 (0.54) PRKCICA2THRBCA1HTR2A
SCHEMBL6152001 0.77 CA1 (0.83) CA2THRBCA1KDM4EMEN1
SCHEMBL31500225 0.75 ALOX15 (0.59) PRKCIACHETHRBHTR2ASLC6A4
SCHEMBL8111489 0.74 ALDH1A1 (0.59) PRKCIACHETHRBHTR2ASLC6A4
SCHEMBL23213551 0.73 SLC6A4 (0.45) THRBHTR2ASLC6A4KDM4EMEN1
Hydrochloric Acid SCHEMBL9583141 0.73 ALDH1A1 (0.57) PRKCIACHECA2THRBHTR2A

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-1200049-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
WO-2001010398-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed