SCHEMBL11005342

SCHEMBL11005342

COC(=O)c1cc(-c2ccc(OC)cc2)ns1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 2/20 0.54
ALPL P05186 2/20 0.54
OPRD1 P41143 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PLA2G2A P14555 3/20 0.49
ADORA3 P0DMS8 5/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ADORA2B P29275 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
GLA P06280 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
SCHEMBL11000258 0.89 ALPL (0.52) MAPTSMN1; SMN2LMNANPC1ALPL
SCHEMBL1566612 0.86 MAPT (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL11001807 0.85 MAPT (0.54) MAPTSMN1; SMN2LMNANPC1ALPL
SCHEMBL6667136 0.85 MAPT (0.51) MAPTSMN1; SMN2NPC1ALPLRAB9A
SCHEMBL15559606 0.84 GAA (0.51) MAPTSMN1; SMN2KDM4EPLA2G2AADORA3
SCHEMBL11004921 0.84 MAPT (0.56) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL11000948 0.75 SLC6A3 (0.48) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11005353 0.75 SAE1 (0.46) MAPTLMNAOPRD1KDM4ECYP1A2
SCHEMBL31603878 0.74 MEN1 (0.53) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL13118079 0.74 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LMNANPC1ALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 EP disclosed