SCHEMBL28424813

SCHEMBL28424813

CC(C)(C)C(=O)Nc1ccc(Br)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
TP53 P04637 2/20 0.60
MEN1 O00255 5/20 0.58
CKS1B P61024 1/20 0.50
SKP2 Q13309 1/20 0.50
SLC40A1 Q9NP59 1/20 0.50
TOP2A P11388 1/20 0.49
HPGD P15428 2/20 0.48
PKM P14618 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 4/20 0.41

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
SCHEMBL23360233 0.84 KMT2A (0.64) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL29862447 0.84 KMT2A (0.64) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL28424154 0.83 TOP2A (0.49) KMT2ATP53MEN1TOP2AHPGD
SCHEMBL28421262 0.83 SLC40A1 (0.50) KMT2AMEN1SLC40A1TOP2AHPGD
SCHEMBL16887761 0.81 HTT (0.61) KMT2AMEN1TOP2AHPGDMAPT
SCHEMBL9367514 0.78 KMT2A (0.57) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL28416081 0.78 SLC40A1 (0.52) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL23360257 0.78 KMT2A (0.74) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL29862819 0.78 KMT2A (0.74) KMT2ATP53MEN1CKS1BSKP2
SCHEMBL8102961 0.77 TDP1 (0.66) KMT2ATP53MEN1SLC40A1HPGD

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
CN-111320579-B Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2021-06-29 CN disclosed
CN-111320579-A Preparation method of 8-amide-5-halogenated quinoline derivative 常州工程职业技术学院 2020-06-23 CN disclosed