SCHEMBL7146887

SCHEMBL7146887

C=C(C(=O)OC(F)(F)F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
ATM Q13315 2/20 0.50
CES1 P23141 3/20 0.45
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 4/20 0.38
CES2 O00748 2/20 0.38
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ELANE P08246 1/20 0.38
AKT1 P31749 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
XBP1 P17861 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL7153128 0.81 TDP1 (0.51) TDP1ATMCES1LMNAF2
SCHEMBL3875454 0.81 TDP1 (0.58) TDP1ATMCES1LMNAF2
Hydrochloric Acid SCHEMBL31332428 0.79 TDP1 (0.57) TDP1ATMCES1LMNAF2
SCHEMBL9124237 0.77 TDP1 (0.53) TDP1ATMCES1LMNAF2
SCHEMBL506074 0.77 TDP1 (0.53) TDP1ATMCES1LMNAF2
SCHEMBL906344 0.77 TDP1 (0.46) TDP1ATMCES1LMNAF2
Carbamic Acid SCHEMBL28106682 0.77 TDP1 (0.54) TDP1ATMLMNAF2ALDH1A1
SCHEMBL5132603 0.75 TDP1 (0.56) TDP1ATMCES1LMNAF2
SCHEMBL16618550 0.75 CES1 (0.41) TDP1ATMCES1LMNAF2
SCHEMBL219676 0.75 LMNA (0.56) TDP1CES1LMNAF2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP disclosed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed