SCHEMBL11274211

SCHEMBL11274211

CC(C)(C)n1ncc(NC(=O)NC(=O)c2ccccc2Br)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ BRCA1 P38398 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL11285219 0.89 PYGL (0.46) PYGLSMN1; SMN2HPGDLMNAHTT
SCHEMBL11272719 0.81 ITGB1 (0.45) SMN1; SMN2HPGDLMNAHTTATM
SCHEMBL11276064 0.81 HTT (0.46) PYGLSMN1; SMN2HPGDLMNAHTT
SCHEMBL8658843 0.80 MEN1 (0.51) SMN1; SMN2LMNAATMNPC1RAB9A
SCHEMBL11285295 0.78 CNR2 (0.47) PYGLLMNACYP1A2CYP2C19ALDH1A1
SCHEMBL11273034 0.77 SMN1; SMN2 (0.41) PYGLSMN1; SMN2HPGDHTTNPC1
SCHEMBL11279223 0.77 MEN1 (0.48) LMNANPC1RAB9AKDM4EGAA
SCHEMBL11271650 0.76 RXFP1 (0.46) SMN1; SMN2HTTCYP1A2
SCHEMBL11276626 0.72 NPC1 (0.49) PYGLSMN1; SMN2HPGDLMNAHTT
SCHEMBL11267025 0.70 HTT (0.48) PYGLSMN1; SMN2HPGDLMNAHTT

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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