SCHEMBL23458438

SCHEMBL23458438

NC(=O)c1ccnc(-c2cncnc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4B O94953 1/20 0.46
▸ KDM5C P41229 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ MAP4K4 O95819 3/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ SARM1 Q6SZW1 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ SIRT4 Q9Y6E7 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ KDM4C Q9H3R0 3/20 0.39
▸ AR P10275 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ P4HA1 P13674 1/20 0.37

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
SCHEMBL23458760 0.81 KDM4B (0.47) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL23458742 0.79 KDM5C (0.48) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL7038517 0.76 KDM5C (0.69) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL39814 0.72 KDM4B (0.50) KDM4BKDM5CKDM5BMAP4K4PARP1
SCHEMBL1592852 0.70 KDM4B (0.58) KDM4BKDM5CKDM5BMAP4K4PIM1
SCHEMBL29933114 0.70 KDM1A (0.53) KDM4BKDM5CKDM5BPARP1KDM4C
SCHEMBL30527146 0.70 PIM1 (0.69) KDM4BKDM5CKDM5BPIM1F7
SCHEMBL29175671 0.70 PIM1 (0.69) KDM4BKDM5CKDM5BPIM1F7
SCHEMBL18231524 0.70 KDM5C (0.66) KDM4BKDM5CKDM5BKDM4CKMO
SCHEMBL1569241 0.69 CCNC (0.50) KDM4BKDM5CKDM5BMAP4K4PARP1

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-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 — — WO disclosed
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