SCHEMBL28813546

SCHEMBL28813546

N#Cc1cccc2[nH]c(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.41
CLK1 P49759 2/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
MAP2K1 Q02750 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 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
SCHEMBL12778104 0.78 DYRK1A (0.41) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL5729594 0.78 GAA (0.46) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL30265966 0.78 GAA (0.46) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL24453539 0.75 NR3C1 (0.45) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL16796375 0.74 LOXL2 (0.47) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL29952490 0.74 DYRK1A (0.39) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL16380972 0.74 DYRK1A (0.39) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL15829328 0.74 NR3C1 (0.39) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL15558979 0.73 CUL4A (0.40) DYRK1ACLK1IMPDH2IMPDH1MAP2K1
SCHEMBL3392115 0.73 DAO (0.59) AR

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-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN claimed
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN disclosed