SCHEMBL28057650

SCHEMBL28057650

O=CC(=CCc1ccco1)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
C1S P09871 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 3/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
PKM P14618 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28055523 0.85 KMT2A (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1USP2
SCHEMBL28304781 0.83 TSHR (0.40) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL27670400 0.77 C1S (0.41) L3MBTL1ALDH1A1LMNAC1SPARP1
SCHEMBL28055480 0.76 KMT2A (0.44) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28055528 0.76 MEN1 (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28053515 0.76 NPC1 (0.42) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27764934 0.71 POLB (0.43) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2796488 0.71 PARP1 (0.50) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2796483 0.71 PARP1 (0.50) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27825153 0.70 PTGS2 (0.36) PKMAPEX1RECQLBLMCTDSP1

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-105439995-B A kind of semicarbazone class compound and preparation method thereof, application 西华大学 2018-12-04 CN disclosed
CN-105439995-A Semicarbazone compound and preparation method and application thereof UNIV XIHUA 2016-03-30 CN disclosed