SCHEMBL9441198

SCHEMBL9441198

C[C@@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(=O)O.NC(N)(CCCCC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ IGF2R P11717 1/20 0.33
▸ LGALS8 O00214 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ AR P10275 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SELP P16109 5/20 0.31
▸ GJB2 P29033 1/20 0.31
▸ SELL P14151 3/20 0.30

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
SCHEMBL42792 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL16241536 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL16241534 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL17184967 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL42791 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL2728425 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL30987364 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL20533512 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL22163862 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8
SCHEMBL33302 0.84 MAPK1 (0.64) MAPK1NOD2ALDH1A1THRBLGALS8

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-5284767-A Pyrazines or quinoxalines as the sole carbon, nitrogen and energy source LONZA LTD. (CH) 1994-02-08 — — US disclosed
US-5229278-A Hydroxylating a pyrazine or quinoxaline with a microorganism Rhodococcus or Arthrobacter LONZA LTD. (CH) 1993-07-20 — — US disclosed
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