SCHEMBL21731427

SCHEMBL21731427

C#CCNc1cccc(Cc2cnc(Cl)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL21723181 0.77 KDM4E (0.47) APPKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL21682617 0.76 MAPT (0.47) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL7970286 0.74 KMT2A (0.43) KDM4EKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21682615 0.72 KDM4E (0.40) APPKDM4EKMT2AMEN1L3MBTL1
SCHEMBL21682636 0.68 L3MBTL1 (0.37) KDM4EKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL24287822 0.68 KCNH3 (0.40) —
SCHEMBL4019956 0.64 HRH4 (0.38) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL8447855 0.63 — —
SCHEMBL21731373 0.61 GAA (0.43) APPKDM4EKMT2AL3MBTL1ALDH1A1
SCHEMBL18047238 0.61 CXCR4 (0.55) KDM4EKMT2AMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 — — WO disclosed
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