SCHEMBL5193821

SCHEMBL5193821

COc1ccc2c(-c3ccc(Br)cc3)nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 3/20 0.51
EHMT2 Q96KQ7 6/20 0.51
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
MCHR1 Q99705 7/20 0.49
KCNH2 Q12809 1/20 0.47
ACHE P22303 3/20 0.47
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
EHMT1 Q9H9B1 1/20 0.46
NSD2 O96028 1/20 0.45

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
Hydrochloric Acid SCHEMBL4834576 0.99 EHMT2 (0.51) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4118769 0.95 ACHE (0.52) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL5194216 0.93 DNMT3A (0.53) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4838974 0.93 DNMT3A (0.54) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4837275 0.92 ACHE (0.54) DNMT3AEHMT2KDM1ARCOR1MCHR1
Hydrochloric Acid SCHEMBL4833934 0.92 DNMT3A (0.52) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4838692 0.92 DNMT3A (0.49) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4843894 0.92 MCHR1 (0.55) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL4837358 0.92 DNMT3A (0.51) DNMT3AEHMT2KDM1ARCOR1MCHR1
SCHEMBL5193433 0.91 MCHR1 (0.53) DNMT3AEHMT2KDM1ARCOR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP claimed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP claimed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO claimed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed