SCHEMBL3266697

SCHEMBL3266697

CN(C(=O)CC#N)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLQ O75417 10/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
TACR1 P25103 2/20 0.40
ESR1 P03372 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 1/20 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
SCHEMBL11309832 0.81 POLQ (0.50) POLQGAATACR1ESR1HDAC6
SCHEMBL13041529 0.81 POLQ (0.50) POLQALDH1A1GAATACR1ESR1
SCHEMBL3399062 0.79 POLQ (0.48) POLQALDH1A1TACR1ESR1HDAC6
SCHEMBL13041505 0.78 POLQ (0.47) POLQALDH1A1GAATACR1ESR1
SCHEMBL25076165 0.76 TSPO (0.47) POLQSMN1; SMN2GAATACR1ESR1
SCHEMBL2088432 0.76 POLQ (0.50) POLQALDH1A1GAATACR1ESR1
SCHEMBL2088431 0.76 POLQ (0.46) POLQSMN1; SMN2ALDH1A1GAATACR1
SCHEMBL24865037 0.75 SIGMAR1 (0.54) ALDH1A1HTT
SCHEMBL4602848 0.74 POLQ (0.45) POLQSMN1; SMN2ALDH1A1GAATACR1
SCHEMBL5476758 0.74 POLQ (0.45) POLQSMN1; SMN2ALDH1A1GAATACR1

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
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed