SCHEMBL14527018

SCHEMBL14527018

Fc1cc(-n2ccnn2)ccc1N1CCSCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 12/20 0.54
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ EGLN2 Q96KS0 1/20 0.41
▸ LGMN Q99538 1/20 0.40
▸ KCNH2 Q12809 1/20 0.37
▸ F10 P00742 1/20 0.36

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
SCHEMBL14527020 0.83 NOTUM (0.53) NOTUMALDH1A1KEAP1MAOAMAOB
SCHEMBL14527021 0.82 NOTUM (0.42) NOTUMALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL27621176 0.80 NOTUM (0.50) NOTUMALDH1A1KEAP1MAOAMAOB
SCHEMBL5623484 0.74 NOTUM (0.50) NOTUMALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL5622918 0.74 NOTUM (0.52) NOTUM
SCHEMBL30538076 0.74 NOTUM (0.63) NOTUMKEAP1KCNH2
SCHEMBL24169257 0.72 MAOA (0.81) MAOAMAOBKCNH2F10
SCHEMBL5741706 0.72 MAOA (0.81) MAOAMAOBKCNH2F10
SCHEMBL28358734 0.71 LGMN (0.51) ALDH1A1ALOX15MAPK10HSD17B10MAOA
SCHEMBL21792324 0.70 NOTUM (1.00) NOTUMKEAP1MAOA

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-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 — — US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 — — US disclosed
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