SCHEMBL11276626

SCHEMBL11276626

O=C(NC(=O)c1ccccc1Cl)Nc1cnn(-c2ccc(Br)cc2)c(=O)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PYGL P06737 3/20 0.45
▸ PTGES O14684 1/20 0.44
▸ RAB9A P51151 8/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ EPHB3 P54753 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL11267025 0.91 HTT (0.48) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL11277938 0.88 PTGES (0.52) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL11282702 0.88 PYGL (0.48) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL11276064 0.85 HTT (0.46) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL11283690 0.85 PYGL (0.45) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL8669219 0.83 GAA (0.46) NPC1MAPTKDM4EHTTCYP1A2
SCHEMBL11283145 0.81 MAPK14 (0.47) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL11278901 0.79 HTT (0.46) NPC1MAPTALDH1A1KDM4EPOLB
SCHEMBL11285219 0.78 PYGL (0.46) NPC1MAPTALDH1A1POLBHPGD
SCHEMBL9135913 0.77 GAA (0.45) NPC1MAPTALDH1A1HTTPYGL

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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