SCHEMBL8433353

SCHEMBL8433353

COc1cc(N)c(CCO)c(OC)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE1C Q14123 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EP300 Q09472 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL8432187 0.76 PDE1A (0.36) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL8419860 0.76 TNKS2 (0.38) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL9757485 0.75 IMPDH2 (0.35)
SCHEMBL3339987 0.71 HMGCR (0.44) HTR2AHTR2CCYP19A1KDM4ENPC1
SCHEMBL11871207 0.70 IMPDH2 (0.33) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4590543 0.70 ATP4A (0.43) HTR2AHTR2CHTR2BKDM4ENPC1
SCHEMBL8036573 0.70 MAPT (0.48) HTR2AHTR2CHTR2BCYP19A1KDM4E
SCHEMBL10621551 0.70 ACHE (0.43) KDM4EPOLBNPC1MAPTCYP3A4
SCHEMBL7865943 0.69 L3MBTL1 (0.44) KDM4EPOLBNPC1MAPTCYP3A4
SCHEMBL30665721 0.69 NPC1 (0.45) CYP19A1KDM4EPOLBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 EP disclosed
US-5015772-A Hair dyes L'OREAL (FR) 1991-05-14 US disclosed
US-4960432-A Meta-phenylenediamines, process for preparation thereof, intermediate compounds and use of these meta-phenylenediamines as couplers for the oxidation dyeing of keratinous fibres and especially human hair L'OREAL (FR) 1990-10-02 US disclosed