SCHEMBL11338573

SCHEMBL11338573

CCc1cccc(Cl)c1NCc1nnco1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL11333464 0.90 KCNH2 (0.39) KCNH2SCN5ACACNA1CHSD17B10SMN1; SMN2
SCHEMBL11321595 0.85 HSD17B10 (0.41) MAPTKCNH2SCN5ACACNA1CHSD17B10
SCHEMBL11331188 0.83 NOTUM (0.38) NOTUMLMNA
SCHEMBL11331221 0.81 NOTUM (0.36) NOTUM
SCHEMBL30806201 0.76 KCNH2 (0.42) MAPTKCNH2SCN5ACACNA1CTSHR
SCHEMBL11503039 0.75 NOTUM (0.33) NOTUMLMNA
SCHEMBL11335392 0.75 LMNA (0.37) NOTUMMAPTLMNACYP2C19HTT
SCHEMBL101524 0.72 KCNH2 (0.42) KCNH2SCN5ACACNA1CTSHRS1PR4
SCHEMBL11333655 0.71 KCNH2 (0.38) MAPTKCNH2SCN5ACACNA1CLMNA
SCHEMBL10390337 0.71 KCNH2 (0.41) KCNH2SCN5ACACNA1CTSHRS1PR4

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
US-4267338-A INTERMEDIATES IN THE PRODUCTION OF N-AZOLYLALKYL-HALOGENOACETANILIDE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 — — US disclosed
EP-0003540-B1 N-AZOLYLALKYL ANILINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1980-10-01 — — EP disclosed
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