SCHEMBL31602162

SCHEMBL31602162

C#Cc1cccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.75
ALDH1A1 P00352 1/20 0.75
GLA P06280 1/20 0.75
PMP22 Q01453 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
NPC1 O15118 1/20 0.75
NPY1R P25929 1/20 0.75
HTT P42858 1/20 0.75
NPY2R P49146 1/20 0.75
RAB9A P51151 1/20 0.75
SLC29A1 Q99808 1/20 0.75
RXFP1 Q9HBX9 1/20 0.75
CYP1A2 P05177 1/20 0.75
TSHR P16473 1/20 0.75
NFKB1 P19838 1/20 0.75
MAPK1 P28482 1/20 0.75
CYP2C19 P33261 1/20 0.75
THPO P40225 1/20 0.75
ADORA1 P30542 2/20 0.64
ADORA3 P0DMS8 1/20 0.63

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
SCHEMBL31602135 0.92 LMNA (0.63) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL23355146 0.88 LMNA (0.56) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL20419138 0.87 LMNA (0.80) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL23982343 0.87 LMNA (0.80) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL27992038 0.87 LMNA (0.80) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL31602192 0.87 ADORA3 (0.60) LMNARXFP1CYP1A2MAPK1ADORA1
SCHEMBL23355143 0.87 DNPH1 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL23924540 0.87 DNPH1 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL29403562 0.87 DNPH1 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL30442836 0.87 DNPH1 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2

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-2025110557-A1 COMPOUND DERIVATIVE FOR INHIBITING USE1 ACTIVITY, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME 한국화학연구원 2025-05-30 WO disclosed