SCHEMBL28694963

SCHEMBL28694963

Fc1ccc(Cl)cc1.OB(O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TLR7 Q9NYK1 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ENPP2 Q13822 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL28672495 0.83 GRM4 (0.41) KMT2AMEN1RAB9ANPC1PKM
SCHEMBL29462398 0.81
SCHEMBL201627 0.81
SCHEMBL9109465 0.79 LMNA (0.42) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL27600111 0.79 LMNA (0.42) KMT2AMEN1L3MBTL1RAB9ANPC1
Water SCHEMBL30010184 0.79 LMNA (0.42) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL28243992 0.79 LMNA (0.42) KMT2AMEN1L3MBTL1RAB9ANPC1
Boric Acid SCHEMBL2461186 0.72 ORAI1 (0.50) KMT2AMEN1CYP19A1RAB9ANPC1
SCHEMBL35226 0.67
SCHEMBL7024646 0.67

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-113943289-A Organic compound, application thereof and organic electroluminescent device 北京鼎材科技有限公司 2022-01-18 CN disclosed