SCHEMBL25002873

SCHEMBL25002873

N=c1sccn1C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.39
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PI4KA P42356 2/20 0.30
PI4K2B Q8TCG2 2/20 0.30
PI4K2A Q9BTU6 2/20 0.30
PI4KB Q9UBF8 2/20 0.30
GRM1 Q13255 2/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL23750041 0.81 INMT (0.36) INMT
SCHEMBL23749910 0.68 KMT2A (0.37) INMTNPC1ALDH1A1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2801614 0.66 PI4KA (0.33) ALDH1A1KMT2ASMN1; SMN2PI4KAPI4K2B
Carbon Monoxide SCHEMBL8152719 0.63 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ASMN1; SMN2PI4KA
SCHEMBL23750025 0.62 MAPT (0.41) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL8139572 0.61 SLC18A3 (0.39) ALDH1A1
Hydrochloric Acid SCHEMBL2801612 0.61 PI4KA (0.33) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL22188650 0.60 PI4KA (0.33) ALDH1A1KMT2ASMN1; SMN2PI4KAPI4K2B
Hydrochloric Acid SCHEMBL20603062 0.60 PI4KA (0.33) ALDH1A1KMT2ASMN1; SMN2PI4KAPI4K2B
SCHEMBL20489211 0.58 SLC18A3 (0.32) ALDH1A1KMT2ASMN1; SMN2PI4KAPI4K2B

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