SCHEMBL11278294

SCHEMBL11278294

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnn(C2CCCCC2)c(=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ ITGA4 P13612 2/20 0.49
▸ ITGB7 P26010 2/20 0.49
▸ PPIA P62937 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL11282236 0.88 CNR2 (0.48) CNR2ITGA4ITGB7PPIANPC1
SCHEMBL11285295 0.82 CNR2 (0.47) CNR2ITGA4ITGB7KMT2AALDH1A1
SCHEMBL11272719 0.77 ITGB1 (0.45) ITGA4ITGB7PPIANPC1RAB9A
SCHEMBL11278901 0.77 HTT (0.46) ITGA4ITGB7NPC1RAB9ASMN1; SMN2
SCHEMBL11273766 0.76 SMN1; SMN2 (0.47) CNR2ITGA4ITGB7NPC1RAB9A
SCHEMBL11277938 0.75 PTGES (0.52) ITGA4ITGB7NPC1RAB9ASMN1; SMN2
SCHEMBL11277798 0.74 ITGB1 (0.43) ITGA4ITGB7RAB9ATSHRSMN1; SMN2
SCHEMBL11277269 0.73 NPC1 (0.56) ITGA4ITGB7NPC1RAB9ASMN1; SMN2
SCHEMBL11276599 0.71 TLR7 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL26014019 0.71 CNR2 (0.69) CNR2NPC1RAB9ASMN1; SMN2GRM1

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
Send feedback