SCHEMBL31483063

SCHEMBL31483063

NC(=O)NCCOc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TBXAS1 P24557 1/20 0.43
STAT3 P40763 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL29602673 0.83 MTNR1A (0.70) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL1053081 0.82 MTNR1A (0.69) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL31483026 0.81 CHRNB2 (0.60) MTNR1AMTNR1BALDH1A1
SCHEMBL21099911 0.81 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL31483051 0.79 SMN1; SMN2 (0.53) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL807668 0.79 NPC1 (0.69) MTNR1AMTNR1BSMN1; SMN2NPC1HPGD
SCHEMBL31483087 0.79 MTNR1A (0.73) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL29639804 0.77 L3MBTL1 (0.70) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL24937350 0.77 LMNA (0.48) SMN1; SMN2NPC1MAPK1TSHRLMNA
SCHEMBL1678088 0.76 CA12 (0.64) MTNR1AMTNR1BNPC1RAB9A

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
CN-119841829-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2025-04-18 CN disclosed