SCHEMBL6202723

SCHEMBL6202723

O=C(Cn1cnc2ccccc21)c1ccc(Br)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
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
MGAM O43451 1/20 0.63
AMY1A P0DUB6 1/20 0.63
GAA P10253 1/20 0.63
SI P14410 1/20 0.63
MGAM2 Q2M2H8 1/20 0.63
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

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) RAB9ACA12CA1CA2CA7
SCHEMBL6201409 0.86 CA12 (0.68) RAB9ACA12CA1CA2CA7
SCHEMBL1718552 0.85 CDYL2 (0.68) RAB9ACA12CA1CA2CA7
SCHEMBL10247491 0.81 KDM4E (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL22381006 0.81 CA12 (1.00) RAB9ACA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1775490 0.80 ALPL (0.50) RAB9ACA12CA1CA2CA7
SCHEMBL1036975 0.80 SMN1; SMN2 (0.68) KDM4ENPC1SMN1; SMN2F10F2
SCHEMBL8019373 0.78 RAB9A (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL7366448 0.78 RAB9A (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL1035783 0.77 EGLN3 (0.71) 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