SCHEMBL7657623

SCHEMBL7657623

[c]1[nH]c2cccc(-c3cccc4ccccc34)c2c1-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 7/20 0.35
HPGD P15428 7/20 0.35
KDM4E B2RXH2 6/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PARP1 P09874 1/20 0.34
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDO2 P48775 1/20 0.33
BLM P54132 1/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL6763045 0.77 KDM4E (0.41) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL7467683 0.73 PIM1 (0.43) PIM1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL14461193 0.73 PIM1 (0.50) PIM1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL73268 0.73 PIM1 (0.49) PIM1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5492669 0.72 BCHE (0.40) ALDH1A1KDM4EHSD17B10PARP1GAA
SCHEMBL7330146 0.71 PIM1 (0.48) PIM1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL28724197 0.68 PIM1 (0.43) PIM1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL6466501 0.68 MAPT (0.69) PIM1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL4723685 0.68 ABCG2 (0.43) MAPTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL14461166 0.67 PIM1 (0.45) PIM1MAPTALDH1A1HPGDKDM4E

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
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 US disclosed