SCHEMBL11523665

SCHEMBL11523665

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.48
P2RX7 Q99572 3/20 0.47
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYK2 P29597 1/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSNK2A1 P68400 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
GAA P10253 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL11526152 0.88 RAB9A (0.42) MAPTNPSR1TYK2NPC1KDM4E
SCHEMBL11373408 0.86 TDP1 (0.51) HCRTR1P2RX7SMN1; SMN2NPC1KDM4E
SCHEMBL11519411 0.83 RAB9A (0.47) MAPTTYK2NPC1KDM4ERAB9A
SCHEMBL8657584 0.82 RAB9A (0.57) HCRTR1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11521954 0.82 TYK2 (0.44) P2RX7MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11379058 0.81 TYK2 (0.45) P2RX7MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11522976 0.81 RAB9A (0.45) MAPTTYK2NPC1KDM4ERAB9A
SCHEMBL11524573 0.81 RAB9A (0.46) MEN1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL11524635 0.80 TYK2 (0.43) MEN1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL11524433 0.80 MEN1 (0.45) MEN1MAPTKMT2ASMN1; SMN2NPSR1

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
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US claimed
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed