SCHEMBL8028112

SCHEMBL8028112

CCOC(=O)CCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.48
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL8015892 0.98 GAA (0.51) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8015916 0.97 GAA (0.51) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8016344 0.96 GAA (0.53) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8030543 0.90 GAA (0.46) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8030571 0.88 F2 (0.44) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8026456 0.88 CNR2 (0.49) GAAALDH1A1PKMTSHRNPSR1
Hydrochloric Acid SCHEMBL8029575 0.86 F2 (0.53) GAAALDH1A1PKMTSHRNPSR1
SCHEMBL8140470 0.85 ALDH1A1 (0.51) GAAALDH1A1PKMTSHRNPSR1
Hydrochloric Acid SCHEMBL8026388 0.83 F2 (0.53) GAAALDH1A1PKMTSHRNPSR1
Hydrochloric Acid SCHEMBL8031965 0.83 F2 (0.52) GAAALDH1A1PKMTSHRNPSR1

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed