SCHEMBL6811033

SCHEMBL6811033

C[C@H](Nc1ccccn1)C(=O)O.C[C@H](Nc1ccccn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
FDPS P14324 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
PKM P14618 2/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
PIM1 P11309 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
FLT3 P36888 1/20 0.49
PIM3 Q86V86 1/20 0.49
AURKB Q96GD4 1/20 0.49
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL503092 1.00 POLB (0.55) POLBFDPSNPC1RAB9APKM
SCHEMBL44233 1.00 POLB (0.55) POLBFDPSNPC1RAB9APKM
SCHEMBL44234 1.00 POLB (0.55) POLBFDPSNPC1RAB9APKM
Hydrochloric Acid SCHEMBL10655824 0.98 POLB (0.54) POLBFDPSNPC1RAB9APKM
Hydrochloric Acid SCHEMBL9641235 0.98 POLB (0.54) POLBFDPSNPC1RAB9APKM
Hydrochloric Acid SCHEMBL10655830 0.98 POLB (0.54) POLBFDPSNPC1RAB9APKM
Hydrochloric Acid SCHEMBL10353563 0.97 POLB (0.53) POLBFDPSNPC1RAB9APKM
Hydrochloric Acid SCHEMBL10353564 0.97 POLB (0.53) POLBFDPSNPC1RAB9APKM
Maleic Acid SCHEMBL28620058 0.92 POLB (0.49) POLBFDPSNPC1RAB9APKM
SCHEMBL10434510 0.89 LMNA (0.52) POLBFDPSNPC1RAB9APKM

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-20040116336-A1 Peptide derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed