SCHEMBL7216263

SCHEMBL7216263

Cc1cc2[nH]cnc2cc1CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
MMP12 P39900 1/20 0.39
PRKCI P41743 1/20 0.38
QPCT Q16769 3/20 0.37
RAD52 P43351 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7220759 0.93 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL13373330 0.84 MAPT (0.46) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL7213789 0.82 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
Dimedazol SCHEMBL312977 0.78 MAPT (0.56) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL12304872 0.77 PARP1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL13373367 0.77 MAPT (0.40) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL3925343 0.76 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL7213798 0.75 MAPT (0.48) MAPTKDM4EALDH1A1APEX1RECQL
Dimedazol SCHEMBL29097803 0.74 MAPT (0.47) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL13373552 0.74 MAPT (0.43) MAPTKDM4EALDH1A1APEX1RECQL

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed