SCHEMBL8867005

SCHEMBL8867005

CCOC(=O)c1cccnc1-c1cc[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NUDT1 P36639 1/20 0.45
HSD17B10 Q99714 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CASP1 P29466 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL27862967 0.82 TSHR (0.57) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL30071543 0.82 TSHR (0.57) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL25780705 0.80 TSHR (0.58) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL7360724 0.79 TSHR (0.57) TSHRALDH1A1HSD17B10KDM4ELMNA
SCHEMBL17141443 0.79 PARP1 (0.45) HTTALDH1A1NUDT1HSD17B10KDM4E
SCHEMBL31657672 0.79 PARP1 (0.45) HTTALDH1A1NUDT1HSD17B10KDM4E
SCHEMBL8867433 0.79 KDM4E (0.61) TSHRHTTALDH1A1L3MBTL1KDM4E
SCHEMBL14840570 0.78 TSHR (0.49) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL21663913 0.77 TSHR (0.47) TSHRHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL17793834 0.77 JMJD6 (0.59) TSHRHTTALDH1A1HSD17B10L3MBTL1

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
US-5670456-A Compounds SANDOZ LTD. (CH) 1997-09-23 US disclosed
US-5506191-A Heterocyclic hydrazines and hydrazones SANDOZ LTD. (CH) 1996-04-09 US disclosed