SCHEMBL13284385

SCHEMBL13284385

O=C1Nc2ccc(F)cc2C(c2ccc(F)cc2)=NC1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALB P02768 1/20 0.61
PGR P06401 1/20 0.50
CCKBR P32239 4/20 0.45
CCKAR P32238 3/20 0.45
GABRA1 P14867 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 1/20 0.42
CHRM1 P11229 1/20 0.40
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
CCNE2 O96020 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2615324 0.92 LMNA (0.56) LMNAMEN1KMT2AALBPGR
SCHEMBL2615325 0.92 LMNA (0.73) LMNAMEN1KMT2AALBPGR
SCHEMBL13284383 0.90 LMNA (0.77) LMNAMEN1KMT2AALBPGR
SCHEMBL10974232 0.85 LMNA (0.52) LMNAMEN1KMT2AALBPGR
SCHEMBL11473985 0.84 GABRA1 (0.43) LMNAMEN1KMT2AALBCCKBR
SCHEMBL13285139 0.83 CCKBR (0.47) LMNAMEN1KMT2AALBCCKBR
SCHEMBL13284429 0.83 LMNA (0.62) LMNAMEN1KMT2AALBPGR
SCHEMBL2631488 0.81 LMNA (0.78) LMNAMEN1KMT2AALBPGR
SCHEMBL28348373 0.81 LMNA (0.85) LMNAMEN1KMT2AALBPGR
SCHEMBL11633050 0.77 LMNA (0.79) LMNAMEN1KMT2AALBPGR

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
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed