SCHEMBL8551494

SCHEMBL8551494

CCOC(=O)COc1ccc(OCc2nnc(C3CCN(C(=O)OCc4ccccc4)CC3)s2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN2B Q13224 4/20 0.43
MAPT P10636 3/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL8552794 0.93 PRMT5 (0.45) PRMT5SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL8551498 0.87 PRMT5 (0.44) PRMT5SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL6750128 0.83 SMN1; SMN2 (0.53) PRMT5SMN1; SMN2NPC1RAB9AGRIN2B
Bromide SCHEMBL8552783 0.79 POLB (0.42) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8592963 0.77 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AMAPTCYP2C19
SCHEMBL23201370 0.75 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL31169287 0.75 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGRIN2BMAPT
SCHEMBL8552797 0.75 SMN1; SMN2 (0.40) PRMT5SMN1; SMN2NPC1RAB9AGRIN2B
SCHEMBL13150409 0.75 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL8626081 0.74 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19

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
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed