SCHEMBL28822363

SCHEMBL28822363

CC(Cl)CCCc1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTR1A P08908 3/20 0.50
▸ DRD2 P14416 3/20 0.50
▸ SLC6A4 P31645 3/20 0.50
▸ HTR7 P34969 3/20 0.50
▸ UBE2T Q9NPD8 1/20 0.50
▸ ASIC3 Q9UHC3 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ HPGD P15428 4/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ DRD3 P35462 2/20 0.46

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
SCHEMBL26785759 0.88 ALOX15 (0.57) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL9641726 0.82 SMN1; SMN2 (0.70) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL25062714 0.81 SMN1; SMN2 (0.61) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL14131194 0.81 UBE2T (0.56) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL27509034 0.80 SMN1; SMN2 (0.68) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL17895733 0.79 HTT (0.56) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL20358330 0.79 SMN1; SMN2 (0.62) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL2034241 0.79 SMN1; SMN2 (0.62) ALOX15HTTSMN1; SMN2HTR1ADRD2
Bromide SCHEMBL11522514 0.79 SMN1; SMN2 (0.66) ALOX15HTTSMN1; SMN2HTR1ADRD2
SCHEMBL27924411 0.78 SMN1; SMN2 (0.51) ALOX15HTTSMN1; SMN2HTR1ADRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104910098-B Synthesis method of 2-arylbenzothiazole compound 大连理工大学 2017-03-22 — — CN disclosed
CN-104910098-A Synthesis method of 2-arylbenzothiazole compound UNIV DALIAN TECH 2015-09-16 — — CN disclosed
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