SCHEMBL11277798

SCHEMBL11277798

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnn(Cc2ccc(Cl)cc2)c(=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 4/20 0.43
▸ ITGA4 P13612 4/20 0.43
▸ ITGB7 P26010 4/20 0.43
▸ HTT P42858 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MITF O75030 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ BPTF Q12830 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ S1PR1 P21453 1/20 0.40

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
SCHEMBL11281409 0.88 PYGL (0.44) HTTSMN1; SMN2NPSR1ALDH1A1MITF
SCHEMBL11278901 0.84 HTT (0.46) ITGB1ITGA4ITGB7HTTSMN1; SMN2
SCHEMBL11273766 0.78 SMN1; SMN2 (0.47) ITGB1ITGA4ITGB7HTTSMN1; SMN2
SCHEMBL11272719 0.77 ITGB1 (0.45) ITGB1ITGA4ITGB7HTTSMN1; SMN2
SCHEMBL11277938 0.75 PTGES (0.52) ITGB1ITGA4ITGB7HTTSMN1; SMN2
SCHEMBL11278294 0.74 CNR2 (0.49) ITGB1ITGA4ITGB7SMN1; SMN2NPSR1
SCHEMBL11277269 0.73 NPC1 (0.56) ITGB1ITGA4ITGB7HTTSMN1; SMN2
SCHEMBL11267025 0.72 HTT (0.48) HTTSMN1; SMN2NPSR1ALDH1A1MITF
SCHEMBL11276599 0.71 TLR7 (0.43) HTTSMN1; SMN2NPSR1ALDH1A1RAB9A
SCHEMBL11279223 0.71 MEN1 (0.48) ITGB1ITGA4ITGB7NPSR1ALDH1A1

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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