SCHEMBL6974913

SCHEMBL6974913

N#CCCCNc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ICMT O60725 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSIP1 O75475 1/20 0.36
KAT2B Q92831 2/20 0.35
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6968841 0.89 GAA (0.43) L3MBTL1ICMTSMN1; SMN2ALDH1A1MAPT
SCHEMBL30610416 0.78 QPCT (0.53) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL22712390 0.78 QPCT (0.53) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL5506124 0.77 ALDH1A1 (0.64) L3MBTL1ICMTALDH1A1MAPTGAA
SCHEMBL9511988 0.77 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL2229559 0.76 POLB (0.42) SMN1; SMN2ALDH1A1MAPTGAAHTT
SCHEMBL27489390 0.76 SMN1; SMN2 (0.58) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL4158643 0.76 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL11248471 0.74 GAA (0.46) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL29563275 0.74 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2MAPTLMNAGAA

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
EP-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed