SCHEMBL2420643

SCHEMBL2420643

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HSD17B10 Q99714 11/20 0.57
KDM4E B2RXH2 6/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 2/20 0.50
CYP1A2 P05177 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2425563 0.90 RAB9A (0.55) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL10247006 0.86 HSD17B10 (0.66) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL2419464 0.82 HSD17B10 (0.73) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL2427334 0.79 RAB9A (0.60) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL255110 0.78 HSD17B10 (0.43) RAB9ANPC1HSD17B10KDM4EMAPK1
SCHEMBL2179717 0.74 TRPM8 (0.58) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL25523259 0.74 ALDH1A1 (0.54) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL10247004 0.73 HSD17B10 (0.61) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL255583 0.73 HSD17B10 (0.61) RAB9ANPC1L3MBTL1HSD17B10KDM4E
SCHEMBL255810 0.73 HSD17B10 (0.64) RAB9ANPC1L3MBTL1HSD17B10KDM4E

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