SCHEMBL23217929

SCHEMBL23217929

Cc1cccc(C(=O)C(=O)c2ccc3ncc(OCCOC(N)=O)cc3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAOB P27338 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL23217910 0.79 CA12 (0.40) TDP1KDM4E
SCHEMBL29796592 0.76 P2RX7 (0.38) TGFBR1P2RX7NPC1GRM5ALPL
SCHEMBL23389992 0.76 P2RX7 (0.38) TGFBR1P2RX7NPC1GRM5ALPL
SCHEMBL4876970 0.72 ALOX15 (0.55) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL4858870 0.69 NPC1 (0.60) TGFBR1ALDH1A1HPGDP2RX7NPC1
SCHEMBL23217923 0.69 NPC1 (0.40) TGFBR1ALDH1A1HPGDP2RX7NPC1
SCHEMBL6181864 0.68 MAPT (0.48) ALDH1A1HPGDP2RX7NPC1RAB9A
SCHEMBL28527232 0.68 HSD17B3 (0.44) ALDH1A1GLAP2RX7NPC1RAB9A
SCHEMBL359221 0.67 ALDH1A1 (0.50) ALDH1A1HPGDF2GLAMAPT
SCHEMBL38217661 0.65 CES2 (0.59) ALDH1A1HPGDP2RX7NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022006340-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
WO-2021072330-A1 GALNAC-TGFBR1 INHIBITOR CONJUGATES FOR THE TREATMENT OF LIVER DISEASES SILVERBACK THERAPEUTICS, INC. (US) 2021-04-15 WO disclosed