SCHEMBL23625904

SCHEMBL23625904

CCOC(=O)c1nc2cc3c(cc2cc1N)OC(C)O3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLP1R P43220 1/20 0.38
CYP1A2 P05177 1/20 0.38
TARBP2 Q15633 4/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL24961545 0.84 LMNA (0.56) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL30952911 0.84 LMNA (0.56) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL24823308 0.81 ALDH1A1 (0.40) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL24823387 0.77 NPC1 (0.46) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL30311035 0.77 NPC1 (0.46) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL30310925 0.77 NPC1 (0.46) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL24824154 0.77 NPC1 (0.46) LMNATDP1ALDH1A1HPGDL3MBTL1
SCHEMBL30310830 0.76 TARBP2 (0.41) LMNAALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL24824174 0.76 TARBP2 (0.41) LMNAALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL24826088 0.76 KDM4E (0.41) LMNAALDH1A1HPGDGLP1RCYP1A2

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-2021136244-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2021-07-08 WO disclosed