SCHEMBL7656537

SCHEMBL7656537

COC(=O)C(C)(C)c1ccc2c(c1)c(=O)n(Cc1ccc(OC)cc1)c(=O)n2CCCCBr

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
MAPT P10636 4/20 0.42
PGR P06401 2/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
PARG Q86W56 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL7648551 0.84 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7654886 0.83 HDAC1 (0.48) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7654277 0.82 CCR2 (0.45) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7648500 0.82 HDAC1 (0.45) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7650053 0.79 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7648583 0.79 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7651811 0.78 TDP1 (0.47)
SCHEMBL7648333 0.76 HDAC6 (0.48) HDAC1HDAC8HDAC6HDAC11MAPT
SCHEMBL7650329 0.75 HDAC1 (0.42) HDAC1HDAC8HDAC6MAPTPGR
SCHEMBL7651681 0.74 KDM4E (0.60) MAPTTSHRALDH1A1TP53RXFP1

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