SCHEMBL7369422

SCHEMBL7369422

CCOC(=O)Cc1nc(C=O)c(C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
CHEK1 O14757 1/20 0.46
LMNA P02545 1/20 0.45
AKT1 P31749 1/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL28856012 0.69 HSD17B10 (0.50) HSD17B10CHEK1LMNAAKT1MAPK1
SCHEMBL24129893 0.68 HSD17B10 (0.56) HSD17B10CHEK1LMNAMAPK1SMN1; SMN2
SCHEMBL11267628 0.68 HSD17B10 (0.49) HSD17B10CHEK1LMNAAKT1MAPK1
SCHEMBL11838994 0.67 LMNA (0.59) HSD17B10CHEK1LMNAMAPK1SMN1; SMN2
SCHEMBL4743261 0.67 HSD17B10 (0.69) HSD17B10LMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL11224907 0.67 HSD17B10 (0.48) HSD17B10CHEK1LMNAAKT1MAPK1
SCHEMBL3382220 0.67 HSD17B10 (0.66) HSD17B10CHEK1LMNAAKT1SMN1; SMN2
SCHEMBL1218749 0.67 HSD17B10 (1.00) HSD17B10CHEK1LMNAMAPK1SMN1; SMN2
SCHEMBL31529600 0.67 HSD17B10 (1.00) HSD17B10CHEK1LMNAMAPK1SMN1; SMN2
SCHEMBL15311825 0.67 AKT1 (0.57) HSD17B10CHEK1LMNAAKT1MAPK1

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
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed