SCHEMBL28640997

SCHEMBL28640997

O=C(O)CCOc1ccccc1C(=O)CBr

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
PTK2B Q14289 1/20 0.50
MEN1 O00255 2/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ABCB1 P08183 4/20 0.44
PTPN1 P18031 2/20 0.44
GSK3B P49841 1/20 0.43
HPGDS O60760 1/20 0.42

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
SCHEMBL16036357 0.83 L3MBTL1 (0.54) ALDH1A1KMT2APTK2BKDM4ESMN1; SMN2
SCHEMBL5507668 0.83 ALDH1A1 (0.71) LMNAALDH1A1KMT2APTK2BMEN1
SCHEMBL5052356 0.82 LMNA (0.53) LMNAALDH1A1KMT2APTK2BMEN1
SCHEMBL5055118 0.81 LMNA (0.59) LMNAALDH1A1KMT2AMEN1HIF1A
SCHEMBL16787529 0.81 ALDH1A1 (0.53) LMNAALDH1A1KMT2APTK2BMEN1
SCHEMBL2555648 0.80 LMNA (0.70) LMNAALDH1A1KMT2APTK2BMEN1
SCHEMBL30194507 0.79 SGMS2 (0.59) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL2999130 0.79 SGMS2 (0.59) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL15766880 0.78 LMNA (0.68) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL614689 0.78 KDM4E (0.68) LMNAALDH1A1KMT2APTK2BMEN1

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
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN claimed
CN-113527237-A Method for preparing abemostat, intermediate and preparation method of intermediate 上海工程技术大学 2021-10-22 CN disclosed