SCHEMBL4002142

SCHEMBL4002142

COc1ccc(-c2oc3ccc(C(C=O)N4CCN(Cc5ccccc5)CC4)cc3c2SC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 1/20 0.41
HTR1A P08908 3/20 0.40
HTR7 P34969 3/20 0.40
HTR6 P50406 3/20 0.40
ACHE P22303 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TSHR P16473 1/20 0.37
CFTR P13569 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3999096 0.93 ACHE (0.41) KMT2AALDH1A1ALOX12MEN1HTR1A
SCHEMBL4003862 0.89 KMT2A (0.42) KMT2AALDH1A1ALOX12MEN1HTR1A
SCHEMBL4004837 0.88 ABCG2 (0.39) KMT2AALDH1A1MEN1HTR7ABCG2
SCHEMBL3996885 0.86 ABCB1 (0.39) KMT2AALDH1A1MEN1ACHEABCG2
SCHEMBL4003027 0.86 ALDH1A1 (0.40) KMT2AALDH1A1MEN1ACHEABCG2
SCHEMBL4001884 0.83 ABCB1 (0.37) KMT2AALDH1A1MEN1ABCG2
SCHEMBL4007026 0.82 ACHE (0.40) KMT2AALDH1A1ALOX12MEN1HTR1A
SCHEMBL4001544 0.81 ALDH1A1 (0.48) KMT2AALDH1A1ALOX12ACHETSHR
SCHEMBL3998431 0.81 LMNA (0.40) KMT2AALDH1A1MEN1HTR1AHTR7
SCHEMBL4003849 0.81 ACHE (0.41) KMT2AALDH1A1ALOX12MEN1ACHE

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-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP claimed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO claimed
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed