SCHEMBL11277269

SCHEMBL11277269

COc1ccc(-n2ncc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)c(Cl)c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ S1PR4 O95977 1/20 0.56
▸ S1PR1 P21453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ NPBWR1 P48145 11/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ MAPK14 Q16539 1/20 0.47
▸ MCHR1 Q99705 5/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ITGB1 P05556 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
SCHEMBL11278901 0.88 HTT (0.46) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11277938 0.86 PTGES (0.52) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11273766 0.85 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11281809 0.82 MAPT (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11276599 0.80 TLR7 (0.43) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11273156 0.79 MAPK14 (0.49) SMN1; SMN2MAPTKMT2ANPBWR1MAPK14
SCHEMBL11272719 0.78 ITGB1 (0.45) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11267025 0.77 HTT (0.48) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11274203 0.75 TLR7 (0.52) NPC1MAPTALDH1A1KMT2ANPBWR1
SCHEMBL11276626 0.75 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTHTT

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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