SCHEMBL25003076

SCHEMBL25003076

CN(C)C(=O)CN1CCSC1=N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
INMT O95050 8/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.35
CHRNA1 P02708 1/20 0.34
CHRNA7 P36544 1/20 0.34
DRD2 P14416 1/20 0.32

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
SCHEMBL1590233 0.78 INMT (0.57) INMTKDM4ENPC1LMNAMAPT
SCHEMBL2036528 0.64 TSHR (0.59) LMNANFKB1ALDH1A1
SCHEMBL11983441 0.63 INMT (0.41) INMTKDM4ENPC1LMNAMAPT
SCHEMBL3716092 0.62 PER2 (0.36) ALDH1A1
SCHEMBL13847711 0.61 ALDH1A1 (0.41) ALDH1A1DRD2
SCHEMBL8290941 0.61 ALDH1A1 (0.56) SMN1; SMN2TDP1ALDH1A1DRD2
SCHEMBL4958458 0.61 ALDH1A1 (0.56) KDM4ENPC1LMNARAB9AALDH1A1
Hydrochloric Acid SCHEMBL4109695 0.60 ALDH1A1 (0.43) ALDH1A1DRD2
SCHEMBL3547090 0.60 CACNA1H (0.36) ALDH1A1
SCHEMBL10661826 0.60 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1

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
WO-2023015156-A1 PYRROLOPYRIDINE-3- AND 4-CARBOXAMIDE COMPOSITIONS AND METHODS FOR CELLULAR PROLIFERATION HUDSPETH A JAMES (US) 2023-02-09 WO disclosed