SCHEMBL8728249

SCHEMBL8728249

O=C1CN(c2ccccc2C(F)(F)F)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 6/20 0.43
TDP1 Q9NUW8 6/20 0.43
HCAR1 Q9BXC0 4/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
PMP22 Q01453 1/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL31607784 0.85 CRBN (0.60) MAPTKDM4EHCAR1DDB1CRBN
SCHEMBL8631856 0.77 KMT2A (0.66) HCAR1DDB1CRBNMEN1KMT2A
SCHEMBL13735640 0.75 SCN9A (0.46) MAPTKDM4ETDP1HCAR1MEN1
SCHEMBL19962678 0.74 MEN1 (0.45) MAPTKDM4EL3MBTL1TDP1HCAR1
SCHEMBL2536247 0.73 DDB1 (0.72) MAPTKDM4EL3MBTL1DDB1CRBN
SCHEMBL8632730 0.73 ALOX5 (0.50) MAPTKDM4EDDB1CRBNMEN1
SCHEMBL11097554 0.73 MGLL (0.46) MAPTKDM4ETDP1DDB1CRBN
SCHEMBL7555132 0.73 DDB1 (0.45) MAPTKDM4ETDP1DDB1CRBN
SCHEMBL22340591 0.72 NPC1 (0.54) MAPTKDM4EL3MBTL1TDP1MEN1
SCHEMBL2191985 0.71 LMNA (0.58) MAPTHCAR1DDB1CRBNMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed