SCHEMBL9202218

SCHEMBL9202218

CCOC(=O)Oc1cc2cc(CBr)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA3 P07451 3/20 0.46
CA6 P23280 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
CA4 P22748 2/20 0.46
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KMT2A Q03164 2/20 0.41
CUL4A Q13619 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA5A P35218 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
SCHEMBL9798234 0.87 CA12 (0.46) CA12CA2CA3CA6CA7
SCHEMBL2323034 0.84 ALDH1A1 (0.50) CA12CA2CA3CA6CA7
Hydrochloric Acid SCHEMBL9797800 0.84 CA12 (0.44) CA12CA2CA3CA6CA7
SCHEMBL9204717 0.83 MAOB (0.46) CA12CA2CA3CA6CA7
SCHEMBL6545797 0.82 MAOB (0.58) CA12CA2CA3CA6CA7
SCHEMBL4683562 0.81 FLT3 (0.49) CA12CA2CA3CA6CA7
SCHEMBL6545788 0.80 MAOB (0.60) CA12CA2CA3CA6CA7
SCHEMBL1066544 0.80 CA12 (0.55) CA12CA2CA3CA6CA7
SCHEMBL6021921 0.77 CA12 (0.50) CA12CA2CA9KMT2AMAOB
SCHEMBL9797830 0.74 CUL4A (0.39) CA12CA2CA3CA6CA7

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
EP-0450566-B1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AG (DE) 1995-07-05 EP disclosed
EP-0450566-A1 Substituted azoles, method for their preparation, these containing compositions and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-09 EP disclosed