SCHEMBL7741392

SCHEMBL7741392

COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(CC(=O)Cl)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
MAPT P10636 4/20 0.57
POLB P06746 4/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
MELK Q14680 1/20 0.52

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
SCHEMBL7745473 0.91 HDAC1 (0.61) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL16667740 0.87 POLB (0.71) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL7746061 0.86 HDAC1 (0.53) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL1058355 0.85 HDAC1 (0.66) HDAC1HDAC11HDAC8HDAC6POLB
SCHEMBL16668055 0.84 MEN1 (0.62) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL1002975 0.81 HDAC6 (0.67) HDAC1HDAC8HDAC6
SCHEMBL11641243 0.81 DRD2 (0.56) HDAC1HDAC11HDAC8HDAC6
SCHEMBL5438238 0.80 P2RX4 (0.66) HDAC1HDAC8HDAC6
SCHEMBL10487857 0.77 MAPT (0.64) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL7812028 0.76 HDAC1 (0.49) HDAC1HDAC6MAPTALDH1A1SMN1; SMN2

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed