SCHEMBL5744633

SCHEMBL5744633

[c]1sc2ccccc2c1-c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
APP P05067 3/20 0.46
GLA P06280 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL827403 0.75 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4495847 0.75 RAB9A (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL162342 0.74 RAB9A (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.73 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3144177 0.73 RAB9A (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8327904 0.73 RAB9A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2225061 0.70 KDM4E (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13241653 0.70 KDM4E (0.59) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL30689066 0.70 KDM4E (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL366824 0.70 RAB9A (0.81) RAB9ANPC1KDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646630-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
WO-2005005422-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed