SCHEMBL5733237

SCHEMBL5733237

CCCC[Sn](CCCC)(CCCC)c1ccc(NC(C)=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 3/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
DEGS1 O15121 1/20 0.44
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.40
HCAR3 P49019 2/20 0.40
KMT2A Q03164 1/20 0.39
USP7 Q93009 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4560278 0.87 EPHX2 (0.46) SMN1; SMN2RAB9AL3MBTL1NPC1GLA
SCHEMBL1181436 0.82 HCAR3 (0.44) SMN1; SMN2RAB9AGAAL3MBTL1NPC1
SCHEMBL1900893 0.80 HCAR3 (0.38) SMN1; SMN2RAB9AGAAL3MBTL1NPC1
SCHEMBL30991519 0.80 HCAR3 (0.38) SMN1; SMN2RAB9AGAAL3MBTL1NPC1
SCHEMBL1182532 0.78 MAPK8 (0.42) L3MBTL1
SCHEMBL8499846 0.77 PTK2 (0.59) PTK2SMN1; SMN2RAB9ACYP1A2GAA
SCHEMBL1181286 0.77 HCAR3 (0.42) SMN1; SMN2RAB9AGAAL3MBTL1NPC1
SCHEMBL5733324 0.75 PGK1 (0.34) SMN1; SMN2RAB9ACYP1A2L3MBTL1MAPK1
SCHEMBL5733976 0.75 LMNA (0.34) SMN1; SMN2RAB9ACYP1A2L3MBTL1NPC1
SCHEMBL1674384 0.74 KMT2A (0.41) CYP1A2L3MBTL1MAPK1EPHX2TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 EP disclosed
CN-1152029-C Quinolonecarboxylic acid derivatives or salts thereof ��ɽ��ѧ��ҵ��ʽ���� 2004-06-02 CN disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 US disclosed
CN-1299356-A Quinolonecarboxylic acid derivatives or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 EP disclosed