SCHEMBL31662445

SCHEMBL31662445

COC(=O)c1cc(Br)nc(Br)c1.COC(=O)c1cc(Br)nc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOTUM Q6P988 2/20 0.39

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
SCHEMBL31662342 0.98 KDM4E (0.50) KDM4EALDH1A1CA1CA2CA12
SCHEMBL583270 0.85 KDM4E (0.64) KDM4EALDH1A1CA1CA2CA12
SCHEMBL14150577 0.83 KDM4E (0.69) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31211666 0.81 KDM4E (0.50) KDM4EALDH1A1CA1CA2CA12
SCHEMBL3512793 0.81 KDM4E (0.50) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31703363 0.79 KDM4E (0.46) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31703152 0.79 ALDH1A1 (0.46) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31662526 0.78 ALOX15 (0.41) KDM4EALDH1A1CA1CA2CA12
SCHEMBL14150731 0.77 KDM4E (0.44) KDM4EALDH1A1CA1CA2CA12
SCHEMBL12837985 0.76 KDM4E (0.58) KDM4EALDH1A1CA1CA2CA12

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed