SCHEMBL9846770

SCHEMBL9846770

Cc1ccc2[nH]c(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(Br)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MDH2 P40926 2/20 0.35
AGTR1 P30556 1/20 0.34
KIF11 P52732 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL8544344 0.78 AGTR1 (0.35) AGTR1
SCHEMBL8544342 0.78 AGTR1 (0.35) NPC1MEN1POLBKMT2AAGTR1
SCHEMBL9311096 0.76 AGTR1 (0.33) AGTR1
SCHEMBL9859335 0.75 ABCG2 (0.34) AGTR1
SCHEMBL4638846 0.74 ABCG2 (0.46) NPC1POLBAGTR1MAPTRAB9A
SCHEMBL9311085 0.74 FGFR1 (0.38) NPC1MEN1POLBKMT2AAGTR1
SCHEMBL9135278 0.73 AGTR1 (0.34) AGTR1LMNAALDH1A1
SCHEMBL2161550 0.73 ABCG2 (0.41) NPC1POLBKMT2AAGTR1MAPT
SCHEMBL9309617 0.72 MAPT (0.34) NPC1MEN1POLBKMT2AAGTR1
SCHEMBL8912878 0.72 LMNA (0.40) NPC1MEN1KMT2AAGTR1MAPT

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
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP disclosed