Alanine

Alanine

SCHEMBL8916288

C[C@H](N)C(=O)O.NC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.76

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.76
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
PLA2G10 O15496 3/20 0.44
PLA2G2A P14555 3/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
PLA2G12B Q9BX93 1/20 0.44
PLA2G12A Q9BZM1 1/20 0.44

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
SCHEMBL132986 0.87 BCAT2 (1.00) BCAT2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL29427545 0.87 BCAT2 (1.00) BCAT2KMT2AMEN1SMN1; SMN2NPC1
Alanine SCHEMBL28126833 0.86 BCAT2 (0.55) BCAT2KMT2AMEN1SMN1; SMN2CHRNB2
Urea SCHEMBL28572437 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5180095 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1785690 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL28355265 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL28275782 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1
Alanine SCHEMBL28776159 0.85 KMT2A (0.50) BCAT2KMT2AMEN1SMN1; SMN2FGFR1
Methane SCHEMBL27520060 0.85 BCAT2 (0.96) BCAT2KMT2AMEN1SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed
EP-0602028-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PHARNO WEDROPHARM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed