SCHEMBL11380798

SCHEMBL11380798

Fc1ccc(F)c(Nc2nc3ccccc3o2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.73
RAB9A P51151 10/20 0.73
SMN1; SMN2 Q16637 7/20 0.56
MAPT P10636 6/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
PKM P14618 4/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
C1R P00736 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11380542 0.88 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11377225 0.83 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL31430447 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11384696 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8062960 0.78 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL23175245 0.78 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5803349 0.77 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL15022003 0.77 RAB9A (0.78) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL25245167 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11388652 0.73 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-4275210-A IMMUNOSUPPRESSIVE AGENTS, ANTIFERTILITY AGENTS, PROPHYLAXIS OF MAREK'S DISEASE IN CHICKENS AND HERBICIDES ELI LILLY AND COMPANY (US) 1981-06-23 US disclosed
US-4088770-A ANTIFERTILITY, HERBICIDES ELI LILLY AND COMPANY (US) 1978-05-09 US disclosed