SCHEMBL28023084

SCHEMBL28023084

CCCCCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ LTA4H P09960 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.45
▸ ACACB O00763 1/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL15177164 0.89 ACACB (0.47) LTA4HACACBOPRM1OPRD1OPRK1
SCHEMBL10327285 0.84 L3MBTL1 (0.50) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL12844619 0.82 GRN (0.47) L3MBTL1LTA4HACACBALDH1A1SMN1; SMN2
SCHEMBL28804944 0.80 ACACB (0.44) LTA4HTDP1ACACBALDH1A1OPRM1
SCHEMBL13508844 0.80 ACACB (0.47) LTA4HTDP1ACACBOPRM1OPRD1
SCHEMBL5943019 0.79 RAB9A (0.44) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL20759038 0.79 CASP3 (0.59) L3MBTL1MAPTRAB9ACASP3SENP8
SCHEMBL5667215 0.79 LTA4H (0.65) LTA4HKDM4EALDH1A1LMNACYP3A4
SCHEMBL21656510 0.78 GRM2 (0.56) MAPTRAB9ANFKB1MEN1ALDH1A1
SCHEMBL22792257 0.78 CASP3 (0.57) L3MBTL1MAPTRAB9ACASP3SENP8

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-104892577-B Pymetrozine derivative and preparation method thereof and the application in terms of desinsection 南开大学 2018-06-15 — — CN disclosed
CN-104892577-A Pymetrozine derivative and preparing method and insecticidal application thereof UNIV NANKAI 2015-09-09 — — CN disclosed
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