SCHEMBL6201409

SCHEMBL6201409

O=C(Cn1cnc2ccccc21)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.68
CA1 P00915 4/20 0.68
CA2 P00918 4/20 0.68
CA7 P43166 4/20 0.68
CA9 Q16790 4/20 0.68
CA13 Q8N1Q1 4/20 0.68
ALPL P05186 2/20 0.67
ALPG P10696 2/20 0.67
ALPI P09923 1/20 0.67
PLAA Q9Y263 1/20 0.67
CDYL2 Q8N8U2 1/20 0.58
CDYL Q9Y232 1/20 0.58
CDY1; CDY1B Q9Y6F8 1/20 0.58
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL18825270 0.88 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL6202723 0.86 RAB9A (0.70) CA12CA1CA2CA7CA9
SCHEMBL14478800 0.82 SMN1; SMN2 (0.80) KDM4ENPC1SMN1; SMN2STAT1RAB9A
SCHEMBL22381006 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL1718552 0.77 CDYL2 (0.68) CA12CA1CA2CA7CA9
SCHEMBL1035783 0.77 EGLN3 (0.71) CA12CA1CA2CA7CA9
SCHEMBL8031084 0.76 F10 (0.81) CA12CA1CA2CA7CA9
SCHEMBL20672328 0.76 F10 (0.68) CA12CA1CA2CA7CA9
SCHEMBL10881570 0.75 KDM4E (0.65) CA12CA1CA2CA7CA9
SCHEMBL1038315 0.75 KDM4E (0.69) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed