SCHEMBL28095230

SCHEMBL28095230

Cc1cc(C(=O)O)cc(C)c1OC(=O)C1c2ccccc2N(CCCS(=O)(=O)O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDC25A P30304 1/20 0.33
MEN1 O00255 7/20 0.32
KMT2A Q03164 7/20 0.32
MAPT P10636 5/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
HPGD P15428 3/20 0.32
MMP13 P45452 2/20 0.32
MAPK1 P28482 2/20 0.32
ALPG P10696 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ALOX15 P16050 3/20 0.32
KDM4E B2RXH2 2/20 0.32
PLA2G2A P14555 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4186127 0.85 SNCA (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3040195 0.81 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPTUSP2
SCHEMBL28095574 0.77 CDC25A (0.40) ALDH1A1CDC25AMEN1KMT2AMAPT
SCHEMBL4191633 0.76 DRD2 (0.36) NPC1RAB9AMEN1KMT2A
SCHEMBL4193155 0.76 PRNP (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4192299 0.75 HDAC4 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7049435 0.73 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4178444 0.72 HDAC4 (0.37) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4192625 0.72 HDAC4 (0.37) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL38665521 0.71 HDAC4 (0.49) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1

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-101918367-B Acridine compounds Facile N-alkylation in ionic liquid 西门子医疗保健诊断公司 2016-08-24 CN disclosed