SCHEMBL9027306

SCHEMBL9027306

COc1c(Cc2c[nH]c3ccccc23)nc(OC(=O)OC(C)(C)C)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
MAPT P10636 4/20 0.41
P4HB P07237 4/20 0.41
POLB P06746 2/20 0.41
CTSL P07711 2/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SSTR3 P32745 1/20 0.38
REN P00797 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC3 O15379 4/20 0.37
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 4/20 0.37

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
SCHEMBL9025987 0.90 MAPT (0.40) TACR1MAPTP4HBPOLBCTSL
SCHEMBL9027409 0.89 MAPT (0.42) MAPTPOLBGAAKDM4EAPAF1
SCHEMBL9026979 0.86 GPR84 (0.41) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9026185 0.81 GPR84 (0.41) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9026147 0.80 KMT2A (0.40) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9025873 0.80 GPR84 (0.41) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9026299 0.78 GPR84 (0.37) MAPTTP53TSHR
SCHEMBL9026275 0.76 GPR84 (0.42) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9026638 0.73 KMT2A (0.39) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9027221 0.73 PDE10A (0.36) MAPTPOLBCTSLKDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed