SCHEMBL29258348

SCHEMBL29258348

O=[N+]([O-])c1ccccc1-c1nnnn1C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
HSD11B1 P28845 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 5/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APAF1 O14727 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MGAM O43451 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34

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
SCHEMBL2815892 0.81 KCNN4 (0.40) HSD11B1ALDH1A1KMT2ASMN1; SMN2CYP4F2
SCHEMBL2816857 0.81 LMNA (0.42) L3MBTL1HSD11B1NPC1RAB9AALDH1A1
SCHEMBL29258756 0.81 ATR (0.41) L3MBTL1ALDH1A1GAASMN1; SMN2CYP4F2
SCHEMBL3396469 0.76 ATR (0.33) ALDH1A1SMN1; SMN2CYP4F2CYP4A11LMNA
SCHEMBL25972655 0.74 FGFR1 (0.37) L3MBTL1NPC1ALDH1A1TDP1MAPT
SCHEMBL31461730 0.73 RAB9A (0.36) L3MBTL1NPC1RAB9AALDH1A1TDP1
SCHEMBL31461656 0.73 MAOB (0.35) L3MBTL1NPC1RAB9AALDH1A1TDP1
SCHEMBL28796322 0.70 ALDH1A1 (0.40) L3MBTL1NPC1RAB9AALDH1A1MAPT
SCHEMBL31461713 0.70 TDP1 (0.40) L3MBTL1RAB9AALDH1A1TDP1KMT2A
SCHEMBL165273 0.69 RXRA (0.40) NPC1ALDH1A1TDP1MAPTMEN1

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-118344325-A PI3K selective inhibitors 轩竹生物科技股份有限公司 2024-07-16 CN disclosed