SCHEMBL28407262

SCHEMBL28407262

Cc1ccc2nc(Cl)nc(SCC(=O)Nc3ccccc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
TDP1 Q9NUW8 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
USP2 O75604 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL28403230 0.83 KDM4E (0.59) KMT2AMEN1RAB9AMAPTKDM4E
SCHEMBL28406922 0.81 PKM (0.60) POLBTDP1SMN1; SMN2TP53KMT2A
SCHEMBL28414530 0.78 MAPT (0.56) POLBTDP1SMN1; SMN2NPC1RAB9A
SCHEMBL13253112 0.70 KMT2A (0.81) POLBTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL14208824 0.68 NPC1 (0.69) POLBSMN1; SMN2TP53KMT2AMEN1
SCHEMBL23657914 0.68 TDP1 (0.85) POLBTDP1SMN1; SMN2KMT2AMEN1
SCHEMBL3954215 0.68 MAPT (0.68) POLBSMN1; SMN2TP53KMT2AMEN1
SCHEMBL12287298 0.67 MAPT (0.82) POLBSMN1; SMN2TP53KMT2AMEN1
Ammonia Solution, Strong SCHEMBL28437729 0.67 ALDH1A1 (0.76) POLBSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL924520 0.67 KMT2A (0.53) TDP1SMN1; SMN2KMT2AMEN1NPC1

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-111253326-B 2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof 河北美信医药科技有限公司 2020-12-08 CN disclosed
CN-111253326-A 2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof 河北美信医药科技有限公司 2020-06-09 CN disclosed