SCHEMBL11276064

SCHEMBL11276064

O=C(NC(=O)c1ccccc1Br)Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ NPC1 O15118 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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 0.89 HTT (0.48) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11273034 0.85 SMN1; SMN2 (0.41) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11276626 0.85 NPC1 (0.49) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11271650 0.84 RXFP1 (0.46) HTTCYP1A2CYP2C9MAPTSMN1; SMN2
SCHEMBL11283690 0.83 PYGL (0.45) HTTRAB9ANPC1ALDH1A1KDM4E
SCHEMBL11282702 0.82 PYGL (0.48) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11278901 0.81 HTT (0.46) HTTCYP1A2CYP2C9RAB9ANPC1
SCHEMBL11274211 0.81 PYGL (0.43) HTTCYP1A2RAB9ANPC1ALDH1A1
SCHEMBL11285295 0.78 CNR2 (0.47) CYP1A2ALDH1A1LMNAKMT2ANPSR1
SCHEMBL11277938 0.77 PTGES (0.52) HTTCYP1A2CYP2C9RAB9ANPC1

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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