SCHEMBL8052004

SCHEMBL8052004

O=C(c1cccc(OCC(F)(F)F)c1)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
STAT3 P40763 2/20 0.41
TIPARP Q7Z3E1 3/20 0.39
GRM5 P41594 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A7 Q99884 2/20 0.36
PIK3CA P42336 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
SCHEMBL3502156 0.92 FNTA (0.49) FNTAFNTBSLC6A7
SCHEMBL3502415 0.90 FNTA (0.47) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL3502028 0.90 FNTA (0.48) FNTAFNTBGRM5ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3523247 0.89 FNTA (0.47) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL3497891 0.89 FNTA (0.53) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL8052009 0.88 FNTA (0.45) FNTAFNTBGRM5ALDH1A1MEN1
SCHEMBL3502482 0.87 FNTA (0.52) FNTAFNTBGRM5ALDH1A1MEN1
SCHEMBL3499833 0.85 FNTA (0.49) FNTAFNTBGRM5ALDH1A1MEN1
SCHEMBL3501527 0.85 FNTA (0.49) FNTAFNTBLMNASLC6A7
SCHEMBL3500627 0.84 FNTA (0.48) FNTAFNTBGRM5SLC6A7

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-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed