SCHEMBL15775327

SCHEMBL15775327

O=C1N=C(c2ccc(C(F)(F)F)cc2)Cc2c1cccc2[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
EIF4E P06730 3/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 2/20 0.38
MASP2 O00187 1/20 0.37
F2 P00734 1/20 0.37
PARP1 P09874 1/20 0.35
S100A4 P26447 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PTGES O14684 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL15775915 0.86 MAPT (0.40) KMT2AMEN1EIF4EMAPTRECQL
SCHEMBL15775583 0.85 TDP1 (0.49) KMT2AMEN1LMNAMAPTRECQL
SCHEMBL15775768 0.84 KMT2A (0.40) KMT2AMEN1LMNAEIF4EMAPT
SCHEMBL15775423 0.81 PDCD1 (0.38) MAPTPARP1PDCD1CD274
SCHEMBL15775318 0.81 HTR7 (0.42) KMT2AMEN1EIF4EMAPTRECQL
SCHEMBL15775785 0.80 TNKS (0.41) MAPTPARP1PDCD1CD274
SCHEMBL4763729 0.74 PDCD1 (0.43) MAPTPOLBPARP1PDCD1CD274
SCHEMBL2965327 0.72 ALDH1A1 (0.65) KMT2AMEN1LMNAEIF4EMAPT
SCHEMBL15775233 0.69 MAPT (0.43) KMT2AMAPTRECQLMCL1RXFP1
SCHEMBL15775159 0.69 PARP1 (0.36) MAPTPARP1TDP1ALDH1A1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed