SCHEMBL25002906

SCHEMBL25002906

N=C1SCCN1c1cccc(O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.38
OPRM1 P35372 3/20 0.37
FGFR1 P11362 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CA5A P35218 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR1 P03372 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL25002592 0.90 MEN1 (0.42) MEN1KMT2ADRD2DRD3OPRM1
SCHEMBL25003075 0.79 INMT (0.39) MEN1KMT2ADRD2DRD3FGFR1
SCHEMBL10386947 0.78 SIGMAR1 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL25001896 0.78 ADRB1 (0.46) MEN1KMT2ADRD2DRD3NPC1
Bromide SCHEMBL10800477 0.77 SIGMAR1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL25001894 0.69 GAA (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28643385 0.68 MEN1 (0.55) MEN1KMT2ADRD2DRD3OPRM1
SCHEMBL25001981 0.68 SIGMAR1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL25003073 0.68 INMT (0.32) MEN1KMT2AALDH1A1HSD17B10INMT
SCHEMBL25002137 0.68 INMT (0.32) INMT

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