SCHEMBL5193262

SCHEMBL5193262

COc1ccc(OC)c(-c2nnc(NC3CCN(Cc4ccc5ccccc5c4)CC3)c3cc(OC)ccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.54
KDM1A O60341 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
DNMT3A Q9Y6K1 3/20 0.50
MCHR1 Q99705 9/20 0.49
KCNH2 Q12809 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NSD2 O96028 4/20 0.47

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 SCHEMBL4839148 0.99 EHMT2 (0.53) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL4843124 0.95 EHMT2 (0.54) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL5193639 0.93 EHMT2 (0.54) EHMT2KDM1ARCOR1DNMT3AMCHR1
Hydrochloric Acid SCHEMBL4833918 0.92 EHMT2 (0.53) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL4838589 0.90 EHMT2 (0.54) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL4118769 0.89 ACHE (0.52) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL4838974 0.89 DNMT3A (0.54) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL5193433 0.88 MCHR1 (0.53) EHMT2KDM1ARCOR1DNMT3AMCHR1
SCHEMBL5195313 0.88 MCHR1 (0.45) EHMT2KDM1ARCOR1DNMT3AMCHR1
Hydrochloric Acid SCHEMBL4839475 0.87 MCHR1 (0.44) EHMT2KDM1ARCOR1DNMT3AMCHR1

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-1848716-A1 CRYSTALLINE FORM OF AN INDAZOLE-CARBOXAMIDE COMPOUND Theravance, Inc. (US) 2007-10-31 EP claimed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP claimed
WO-2006088988-A1 CRYSTALLINE FORM OF AN INDAZOLE-CARBOXAMIDE COMPOUND THERAVANCE, INC. (US) 2006-08-24 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