SCHEMBL8690481

SCHEMBL8690481

NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MPO P05164 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
HIF1A Q16665 1/20 0.57
CTSL P07711 1/20 0.55
HDAC8 Q9BY41 3/20 0.54
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54

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
SCHEMBL8690475 1.00 MAPT (0.66) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL8819734 0.88 MEN1 (0.62) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL8819723 0.88 MEN1 (0.62) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL19747609 0.87 KMT2A (0.67) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL15142972 0.85 KMT2A (0.64) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL5384568 0.83 MAPT (0.63) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL8969023 0.81 MAPT (0.56) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL8820084 0.81 KMT2A (0.53) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL8820097 0.81 KMT2A (0.53) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL28167969 0.80 MAPT (0.69) MAPTMEN1KMT2ALMNAHTT

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-5792760-A USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed