SCHEMBL9081982

SCHEMBL9081982

c1cc2nc(Cc3nc4ccc(C5=NC6CCCCC6N5)cc4o3)oc2cc1C1=NC2CCCCC2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.54
TOP2B Q02880 2/20 0.54
GPR119 Q8TDV5 1/20 0.39
AAK1 Q2M2I8 3/20 0.36
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35
GABRG3 Q99928 3/20 0.35
GABRQ Q9UN88 3/20 0.35

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
SCHEMBL14029046 0.74 TOP2A (0.78) TOP2ATOP2BNPC1RAB9ALMNA
SCHEMBL9029007 0.72 TOP2A (0.49) TOP2ATOP2BAAK1NPC1RAB9A
SCHEMBL9112379 0.72 TOP2A (0.49) TOP2ATOP2BAAK1NPC1RAB9A
SCHEMBL9028183 0.72 TOP2A (0.49) TOP2ATOP2BAAK1NPC1RAB9A
SCHEMBL9112632 0.72 TOP2A (0.49) TOP2ATOP2BAAK1NPC1RAB9A
SCHEMBL549309 0.71 TOP2A (1.00) TOP2ATOP2BNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL7724236 0.70 TOP2A (1.00) TOP2ATOP2BNPC1RAB9ALMNA
SCHEMBL9113764 0.70 TOP2A (0.58) TOP2ATOP2BNPC1RAB9ALMNA
SCHEMBL9114197 0.70 TOP2A (0.58) TOP2ATOP2BNPC1RAB9ALMNA
SCHEMBL9081115 0.69 PRMT1 (0.54) TOP2ATOP2BAAK1

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
WO-1996028443-A1 THERAPEUTIC BENZOXAZOLES THE WELLCOME FOUNDATION LIMITED (GB) 1996-09-19 WO disclosed