SCHEMBL11285219

SCHEMBL11285219

CC(C)(C)n1ncc(NC(=O)NC(=O)c2ccccc2Cl)c(Cl)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 3/20 0.46
▸ EPHB3 P54753 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ DCTPP1 Q9H773 1/20 0.40
▸ PCTP Q9UKL6 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP2D6 P10635 1/20 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
SCHEMBL11274211 0.89 PYGL (0.43) PYGLNPC1RAB9ALMNAALDH1A1
SCHEMBL11272719 0.88 ITGB1 (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL11279223 0.83 MEN1 (0.48) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL8658843 0.81 MEN1 (0.51) NPC1RAB9APOLBPKMLMNA
SCHEMBL11267025 0.80 HTT (0.48) PYGLEPHB3NPC1RAB9APOLB
SCHEMBL11282702 0.79 PYGL (0.48) PYGLEPHB3TDP1NPC1RAB9A
SCHEMBL11276626 0.78 NPC1 (0.49) PYGLEPHB3NPC1RAB9APOLB
SCHEMBL11282236 0.78 CNR2 (0.48) PYGLEPHB3TDP1NPC1RAB9A
SCHEMBL11281409 0.78 PYGL (0.44) PYGLEPHB3TDP1NPC1RAB9A
SCHEMBL8669219 0.77 GAA (0.46) PYGLEPHB3TDP1NPC1RAB9A

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
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP claimed
US-4366155-A 1-Benzoyl-3-(6-oxopyridazinyl)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-12-28 — — US disclosed
EP-0063413-A1 1-Benzoyl-3-(heterocyclic)ureas, compositions, and insecticidal method ELI LILLY AND COMPANY (US) 1982-10-27 — — EP disclosed
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