SCHEMBL6594652

SCHEMBL6594652

O=C(OO)c1ccc2cccc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
PIM1 P11309 1/20 0.46
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AR P10275 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36

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
SCHEMBL1726223 0.85 MAPT (0.49) BACE1PIM1KDM4EKMT2AMAPT
SCHEMBL1723184 0.81 KDM4E (0.66) BACE1PIM1KDM4EKMT2AMMP2
SCHEMBL341567 0.79 BACE1 (0.50) BACE1PIM1KDM4EKMT2ACA1
SCHEMBL28337295 0.77 KMT2A (0.47) PIM1KDM4EKMT2AMAPTHDAC8
SCHEMBL3532312 0.76 ALDH1A1 (0.39) KDM4EKMT2AMAPTUSP2SMN1; SMN2
SCHEMBL16654015 0.75 BACE1 (0.46) BACE1PIM1KDM4EKMT2ACA1
SCHEMBL29496137 0.75 BACE1 (0.46) BACE1PIM1KDM4EKMT2AAR
SCHEMBL18463763 0.72 BACE1 (0.50) BACE1PIM1KDM4EKMT2ACA1
SCHEMBL29496059 0.72 GNE (0.55) BACE1PIM1KDM4EMAPTLMNA
SCHEMBL15228545 0.72 GNE (0.55) BACE1PIM1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed