SCHEMBL28802457

SCHEMBL28802457

COC(=O)c1c(Cl)cccc1CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 2/20 0.43
FEN1 P39748 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSP90AA1 P07900 4/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL484670 0.87 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL10561912 0.83 CA12 (0.46) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL27859776 0.83 HDAC1 (0.46) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL4996201 0.82 LMNA (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL5256419 0.82 LMNA (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL5256415 0.82 LMNA (0.50) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL27704257 0.81 CA12 (0.44) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL19879735 0.81 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL19731335 0.81 LMNA (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL26622086 0.81 LMNA (0.47) LMNASMN1; SMN2CA12CA1CA2

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed