SCHEMBL9505626

SCHEMBL9505626

NC(=O)N(NC(F)(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
CES1 P23141 1/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 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
SCHEMBL28595008 0.81 TDP1 (0.40) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL28361228 0.80 SMN1; SMN2 (0.59) TDP1L3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7417080 0.76 TDP1 (0.44) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL12980512 0.75 TDP1 (0.47) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL11804026 0.75 TDP1 (0.47) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL27935850 0.75 TDP1 (0.43) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL28872509 0.73 SMN1; SMN2 (0.65) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL11760572 0.72 TDP1 (0.44) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL27991665 0.72 TDP1 (0.41) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1
SCHEMBL27997106 0.71 TDP1 (0.47) TDP1L3MBTL1SMN1; SMN2RAB9ANPSR1

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-0553284-A1 SEMICARBAZONE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-04 EP disclosed