SCHEMBL11525622

SCHEMBL11525622

CC(C)(C)c1ccc(-c2cnc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.39
IL2 P60568 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DEGS1 O15121 1/20 0.39
EPHB4 P54760 2/20 0.39
TEK Q02763 2/20 0.39

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
SCHEMBL11522661 0.88 IL2 (0.42) RAB9AMAPTNPC1ALDH1A1L3MBTL1
SCHEMBL11385328 0.88 RAB9A (0.47) RAB9AMAPTNPSR1NPC1ALDH1A1
SCHEMBL11521149 0.86 NPC1 (0.46) RAB9AMAPTNPC1IL2SMN1; SMN2
SCHEMBL11604630 0.86 RAB9A (0.48) RAB9AMAPTNPC1CNR1JAK2
SCHEMBL11519534 0.85 RAB9A (0.40) RAB9AMAPTNPC1IL2JAK2
SCHEMBL11521969 0.85 JAK2 (0.42) RAB9AMAPTNPC1IL2SMN1; SMN2
SCHEMBL11521003 0.83 KMO (0.45) RAB9AMAPTNPC1IL2JAK2
SCHEMBL11526152 0.82 RAB9A (0.42) RAB9AMAPTGAANPSR1NPC1
SCHEMBL11524433 0.81 MEN1 (0.45) MAPTGAANPSR1NPC1ALDH1A1
SCHEMBL11525166 0.80 SIRT2 (0.45) RAB9AMAPTNPC1IL2TP53

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