SCHEMBL1018625

SCHEMBL1018625

CCOC(=O)CC1Cc2cc(N)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TNF P01375 2/20 0.42
CYP1A2 P05177 2/20 0.40
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B1 P14061 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPID Q08752 1/20 0.36
PPIG Q13427 1/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7073283 0.87 HSD17B1 (0.47) TSHRHSD17B10CYP1A2KMT2AMEN1
SCHEMBL19055480 0.86 CYP1A2 (0.43) TSHRHSD17B10CYP1A2KMT2AMEN1
SCHEMBL8304087 0.83 HSD17B10 (0.55) TSHRHSD17B10CYP1A2KMT2AMEN1
SCHEMBL7075428 0.82 BRD4 (0.42) TSHRHSD17B10OPRM1
SCHEMBL1016536 0.82 MAPT (0.43) TSHRHSD17B10KMT2AMEN1GAA
SCHEMBL7076747 0.80 HSD17B1 (0.45) TSHRHSD17B10KMT2AGAAHSD17B1
SCHEMBL17502915 0.79 CA9 (0.36) HSD17B10KMT2AMEN1GAAMAPT
SCHEMBL5775643 0.79 TSHR (0.46) TSHRHSD17B10CYP1A2KMT2AMEN1
SCHEMBL3589075 0.78 CA9 (0.37) HSD17B10KMT2AMEN1GAAMAPT
SCHEMBL5780446 0.77 TSHR (0.44) TSHRHSD17B10CYP1A2KMT2AMEN1

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-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed