SCHEMBL28630896

SCHEMBL28630896

COc1cc(Br)c2ncc(C(=O)N[C@H](C)CO)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.48
SYK P43405 1/20 0.40
MAP4K4 O95819 2/20 0.39
HDAC4 P56524 1/20 0.39
STAMBP O95630 1/20 0.39
COPS5 Q92905 1/20 0.39
GABRA5 P31644 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28630897 1.00 HPGDS (0.48) HPGDSSYKMAP4K4HDAC4STAMBP
SCHEMBL23796189 0.89 HPGDS (0.60) HPGDSSTAMBPCOPS5GABRA5HDAC3
SCHEMBL25070926 0.83 HSP90AA1 (0.44) HPGDSSYKHDAC1HDAC6MEN1
SCHEMBL23796218 0.81 HPGDS (0.50) HPGDSGABRA5MEN1KMT2A
SCHEMBL30301864 0.80 HPGDS (0.43) HPGDSSYKMAP4K4HDAC4GABRA5
SCHEMBL30301861 0.80 HPGDS (0.43) HPGDSSYKMAP4K4HDAC4GABRA5
SCHEMBL24800517 0.80 HPGDS (0.43) HPGDSSYKMAP4K4HDAC4HDAC6
SCHEMBL24800518 0.80 HPGDS (0.43) HPGDSSYKMAP4K4HDAC4GABRA5
SCHEMBL30301828 0.80 HPGDS (0.43) HPGDSSYKMAP4K4HDAC4HDAC6
SCHEMBL24801197 0.80 HPGDS (0.45) HPGDSSYKMAP4K4HDAC4STAMBP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302175-A Bicyclic compounds 维瓦斯治疗公司 2021-08-24 CN disclosed