SCHEMBL11248869

SCHEMBL11248869

O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
RORC P51449 1/20 0.51
GCGR P47871 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPIA P62937 1/20 0.48
MAOB P27338 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
AR P10275 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
LMNA P02545 1/20 0.47
SMO Q99835 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL11241126 0.90 TDP1 (0.81) TDP1RORCGCGRRAB9ANPC1
SCHEMBL11242279 0.88 TDP1 (0.61) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11385942 0.88 GCGR (0.62) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11243370 0.88 GCGR (0.62) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11250867 0.88 TDP1 (0.63) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11385899 0.88 TDP1 (0.60) TDP1GCGRRAB9ANPC1SMN1; SMN2
Chlotrifmeuron SCHEMBL10868747 0.87 TDP1 (0.70) TDP1RORCGCGRRAB9ANPC1
SCHEMBL11235155 0.86 RAB9A (0.63) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11236585 0.86 TDP1 (0.58) TDP1GCGRRAB9ANPC1SMN1; SMN2
SCHEMBL11236840 0.84 LRRK2 (0.50) TDP1GCGRRAB9ANPC1PPIA

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
US-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 US disclosed