SCHEMBL7652923

SCHEMBL7652923

COc1ccc(Cn2c(=O)c3ccccc3n(CCCCCCl)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.58
HDAC1 Q13547 2/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAPT P10636 5/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 2/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
RECQL P46063 1/20 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
SCHEMBL7653389 0.99 P2RX4 (0.60) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL7652274 0.95 P2RX4 (0.61) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL7648583 0.89 HDAC1 (0.59) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL6266030 0.87 P2RX4 (0.72) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL17242769 0.85 P2RX4 (0.57) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL17241700 0.83 HDAC1 (0.60) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL17241691 0.83 P2RX4 (0.54) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL6466889 0.82 P2RX4 (0.64) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL12963694 0.81 HDAC1 (0.67) P2RX4HDAC1HDAC11HDAC8HDAC6
SCHEMBL8352700 0.81 P2RX4 (0.67) P2RX4HDAC1HDAC11HDAC8HDAC6

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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed