SCHEMBL7425866

SCHEMBL7425866

COc1cccc2cc(C(O)C3CC3)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46

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
SCHEMBL720494 0.93 ADORA2A (0.53) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL7421148 0.83 LMNA (0.47) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL10963586 0.78 KMT2A (0.54) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL719017 0.77 ALDH1A1 (0.51) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL25062632 0.77 CYP2A6 (0.57) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL6605526 0.76 ADORA2A (0.50) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL21788603 0.74 KMT2A (0.55) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL29793869 0.74 KMT2A (0.55) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL28792307 0.73 SLC6A2 (0.53) LMNARECQLKMT2AALDH1A1MAPT
SCHEMBL29876774 0.73 SLC6A2 (0.53) LMNARECQLKMT2AALDH1A1MAPT

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
EP-1054884-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2000-11-29 EP disclosed
US-6066657-A Benzofuran-4-carboxamides and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-23 US disclosed
WO-1999040085-A1 BENZOFURAN-4-CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1999-08-12 WO disclosed