SCHEMBL7657482

SCHEMBL7657482

COc1ccc(Cn2c(=O)c3ccccc3n(CCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
UBE2N P61088 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BCHE P06276 7/20 0.45
P2RX4 Q99571 1/20 0.44
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.42
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42

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 SCHEMBL7650323 0.91 UBE2N (0.51) LMNAMEN1UBE2NKMT2ABCHE
Hydrochloric Acid SCHEMBL7658024 0.88 BCHE (0.53) LMNAMEN1UBE2NKMT2AHDAC1
SCHEMBL7652044 0.85 CACNA1G (0.53) LMNAMEN1UBE2NKMT2AHDAC8
SCHEMBL7653586 0.83 BCHE (0.51) LMNAMEN1UBE2NKMT2AHDAC8
Hydrochloric Acid SCHEMBL7651171 0.83 CACNA1G (0.53) LMNAMEN1UBE2NKMT2ABCHE
SCHEMBL7652346 0.83 BCHE (0.52) LMNAMEN1UBE2NKMT2ABCHE
SCHEMBL7652144 0.83 BCHE (0.51) LMNAMEN1UBE2NKMT2ABCHE
Hydrochloric Acid SCHEMBL7651119 0.83 BCHE (0.51) LMNAMEN1UBE2NKMT2AHDAC8
SCHEMBL7651155 0.82 BCHE (0.54) LMNAMEN1UBE2NKMT2ABCHE
SCHEMBL7649983 0.82 BCHE (0.50) LMNAMEN1UBE2NKMT2AHDAC8

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