SCHEMBL5193886

SCHEMBL5193886

CCc1ccc(CN2CCC(Nc3nnc(-c4ccc(OC)cc4)c4ccc(OC)cc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
DNMT3A Q9Y6K1 3/20 0.50
MCHR1 Q99705 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC3 O15379 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
EHMT2 Q96KQ7 5/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
EHMT1 Q9H9B1 1/20 0.44
NSD2 O96028 1/20 0.43
DNMT1 P26358 1/20 0.43

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 SCHEMBL4842100 0.99 ACHE (0.54) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5196850 0.96 ACHE (0.58) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4841854 0.95 ACHE (0.57) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5193700 0.93 ACHE (0.56) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL4840150 0.93 ACHE (0.61) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4838721 0.93 ACHE (0.55) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5193384 0.93 ACHE (0.61) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL5193556 0.92 ACHE (0.54) ACHEDNMT3AMCHR1MEN1KMT2A
SCHEMBL4840366 0.92 ACHE (0.54) ACHEDNMT3AMCHR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4838521 0.92 ACHE (0.60) ACHEDNMT3AMCHR1MEN1KMT2A

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