SCHEMBL7576426

SCHEMBL7576426

O=C([CH]Cc1c[nH]c2ccccc12)C(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 1/20 0.48
CYP3A4 P08684 1/20 0.46
AHR P35869 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 3/20 0.46
SLC6A2 P23975 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MAPK1 P28482 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
TSHR P16473 2/20 0.45
BLM P54132 2/20 0.45

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
SCHEMBL18498486 0.79 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2124899 0.78 MAPT (0.54) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13735764 0.75 POLB (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5441703 0.75 MAPT (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6573798 0.74 MAPT (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL290807 0.74 GPR84 (0.53) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL631077 0.72 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29376106 0.72 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL107104 0.72 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5846319 0.72 MEN1 (0.62) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863916-B1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS AVENTIS PHARMA INC (US) 2002-04-10 EP disclosed
US-6069232-A ANTICOAGULANTS FOR THERAPY AND PROPHYLAXIS OF CARDIOVASCULAR DISEASES, AND FOR STORAGE OF BLOOD HOECHST MARION ROUSSEL, INC. (US) 2000-05-30 US disclosed
EP-0863916-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997012904-A1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-04-10 WO disclosed