SCHEMBL15775175

SCHEMBL15775175

COc1nc(-c2ccccc2C(F)(F)F)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.43
ACP1 P24666 3/20 0.42
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
CRHR1 P34998 1/20 0.38
F2RL3 Q96RI0 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HSD11B1 P28845 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CTSK P43235 1/20 0.35

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
SCHEMBL15775364 0.84 ALDH1A1 (0.49) EIF4EMAPTALDH1A1POLBTDP1
SCHEMBL15775580 0.83 ALDH1A1 (0.46) EIF4EMAPTLMNAALDH1A1POLB
SCHEMBL15775543 0.81 LMNA (0.45) EIF4EACP1MAPTNPSR1LMNA
SCHEMBL15775490 0.80 ACP1 (0.46) ACP1LMNAF2RL3TDP1HSD11B1
Ammonia Solution, Strong SCHEMBL2444716 0.80 EIF4E (0.41) EIF4EACP1MAPTNPSR1LMNA
SCHEMBL15775417 0.80 LMNA (0.45) EIF4EMAPTNPSR1LMNAPOLB
SCHEMBL2442608 0.77 CRHR1 (0.43) EIF4EACP1MAPTNPSR1LMNA
SCHEMBL15776164 0.77 SQOR (0.47) EIF4EACP1MAPTNPSR1LMNA
SCHEMBL15775322 0.75 TDP1 (0.41) MAPTLMNAALDH1A1POLBTDP1
SCHEMBL15775590 0.74 NPC1 (0.49) EIF4EMAPTLMNAPOLBNPC1

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