SCHEMBL7648478

SCHEMBL7648478

COC(=O)c1cccc2c1c(=O)[nH]c(=O)n2CCCCBr

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 4/20 0.39
HPGD P15428 1/20 0.39
PARP1 P09874 3/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
NR4A2 P43354 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7651643 0.76 BCHE (0.51) MEN1KMT2AHTT
SCHEMBL7648546 0.76 ALDH1A1 (0.51) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL7651942 0.76 ALDH1A1 (0.53) KDM4EALDH1A1GAAHPGDPARP1
Hydrochloric Acid SCHEMBL7656315 0.75 BCHE (0.50) MEN1KMT2AHTT
SCHEMBL7656663 0.73 HDAC1 (0.46) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL7650175 0.71 PARP1 (0.50) ALDH1A1HPGDPARP1MAPTSMN1; SMN2
SCHEMBL7649548 0.69 HDAC1 (0.46) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL12794035 0.68 MEN1 (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL30704400 0.68 LMNA (0.68) ALDH1A1HPGDMAPTSMN1; SMN2MEN1
SCHEMBL7650329 0.68 HDAC1 (0.42) HDAC1HDAC8HDAC6KDM4EALDH1A1

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