SCHEMBL21680230

SCHEMBL21680230

O=C(NCC1CCCCO1)C1CNC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.53
PKM P14618 1/20 0.53
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
ALOX12 P18054 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 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
Hydrochloric Acid SCHEMBL21640081 0.98 HPGD (0.52) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21640726 0.98 HPGD (0.52) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21640489 0.97 HPGD (0.53) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21639935 0.94 HPGD (0.57) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29086095 0.88 HPGD (0.47) HPGDPKMUSP2SMN1; SMN2HTT
SCHEMBL24322831 0.85 HPGD (0.52) HPGDPKMUSP2SMN1; SMN2HTT
SCHEMBL19254900 0.85 HPGD (0.65) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21641107 0.83 NPC1 (0.41) HPGDPKMUSP2SMN1; SMN2HTT
SCHEMBL19254902 0.81 HPGD (0.65) HPGDPKMUSP2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL21640103 0.78 HPGD (0.49) HPGDPKMUSP2SMN1; SMN2HTT

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-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed