SCHEMBL2425563

SCHEMBL2425563

CCCOC(=O)N(C)c1nnc(-c2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 10/20 0.52
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 2/20 0.49
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
S1PR1 P21453 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2420643 0.90 RAB9A (0.57) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL2419464 0.80 HSD17B10 (0.73) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL10247006 0.77 HSD17B10 (0.66) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL2427334 0.76 RAB9A (0.60) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL10247004 0.76 HSD17B10 (0.61) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL2423902 0.76 LMNA (0.51) L3MBTL1ALDH1A1TP53TSHRCSNK2A2
SCHEMBL173331 0.75 HSD17B10 (0.59) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL10246874 0.74 HSD17B10 (0.58) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL255850 0.73 HSD17B10 (0.57) L3MBTL1HSD17B10KDM4EALDH1A1MAPK1
SCHEMBL27766401 0.73 CHRNB2 (0.65) RAB9ANPC1L3MBTL1ALDH1A1TSHR

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
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed