SCHEMBL2303962

SCHEMBL2303962

N[C@@H](Cc1cn([Fe])cn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ SLC7A5 Q01650 3/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALPI P09923 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ XIAP P98170 1/20 0.41
▸ SLC1A3 P43003 1/20 0.41
▸ TYR P14679 5/20 0.40
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CPB2 Q96IY4 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL27974517 0.83 CYP1A2 (0.46) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL14798187 0.81 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL60911 0.81 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL4727798 0.81 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL4726518 0.81 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL44187 0.81 CYP1A2 (0.45) CYP1A2SLC7A5PKMALPIPTGS1
Hydrochloric Acid SCHEMBL6697015 0.80 TYR (0.45) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL52215 0.80 CYP2C9 (0.47) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL52216 0.80 CYP2C9 (0.47) CYP1A2SLC7A5PKMALPIPTGS1
SCHEMBL17224471 0.80 CYP1A2 (0.44) CYP1A2SLC7A5PKMALPIPTGS1

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
EP-2350649-A1 STABLE ANTIBODY COMPOSITIONS AND METHODS FOR STABILIZING SAME Abbott Laboratories (US) 2011-08-03 — — EP disclosed
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