SCHEMBL11277938

SCHEMBL11277938

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnn(-c2ccc(Br)cc2)c(=O)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.52
▸ NPC1 O15118 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ RAB9A P51151 7/20 0.44
▸ KMT2A Q03164 4/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MITF O75030 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ THRB P10828 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
SCHEMBL11278901 0.91 HTT (0.46) PTGESNPC1ALDH1A1MAPTKDM4E
SCHEMBL11276626 0.88 NPC1 (0.49) PTGESNPC1ALDH1A1MAPTKDM4E
SCHEMBL11273766 0.88 SMN1; SMN2 (0.47) PTGESNPC1ALDH1A1MAPTKDM4E
SCHEMBL11277269 0.86 NPC1 (0.56) NPC1ALDH1A1MAPTHTTCYP1A2
SCHEMBL11276599 0.83 TLR7 (0.43) PTGESNPC1ALDH1A1MAPTKDM4E
SCHEMBL11273156 0.82 MAPK14 (0.49) MAPTSMN1; SMN2KMT2APKMNPBWR1
SCHEMBL11267025 0.79 HTT (0.48) NPC1ALDH1A1MAPTKDM4EPOLB
SCHEMBL11272719 0.78 ITGB1 (0.45) NPC1MAPTHPGDHTTSMN1; SMN2
SCHEMBL11274203 0.78 TLR7 (0.52) PTGESNPC1ALDH1A1MAPTKDM4E
SCHEMBL11276064 0.77 HTT (0.46) NPC1ALDH1A1MAPTKDM4EPSMD14

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