SCHEMBL6989368

SCHEMBL6989368

Cc1nc(-c2cccc(C(Oc3cccc(NC(N)=O)c3)(C(=O)NCC(N)=O)c3ccccc3)c2)no1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 8/20 0.43
HAVCR2 Q8TDQ0 5/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.38

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
SCHEMBL6989364 0.79 TP53 (0.51) TP53LMNANPC1MAPK1HTT
SCHEMBL13273862 0.76 MAPT (0.63) TP53LMNANPC1MAPK1HTT
SCHEMBL6804740 0.74 HAVCR2 (0.64) TP53LMNANPC1MAPK1HTT
SCHEMBL6809066 0.74 TP53 (0.52) TP53LMNANPC1MAPK1HTT
SCHEMBL6298662 0.70 L3MBTL1 (0.52) TP53LMNANPC1MAPK1HTT
SCHEMBL7056553 0.67 TP53 (0.66) TP53LMNANPC1MAPK1HTT
SCHEMBL6809084 0.66 SMN1; SMN2 (0.66) TP53LMNANPC1MAPK1HTT
SCHEMBL6807561 0.66 TP53 (0.63) TP53LMNANPC1MAPK1HTT
SCHEMBL8268112 0.65 MAPT (0.60) TP53LMNANPC1MAPK1HTT
SCHEMBL20029205 0.65 MAPT (0.54) TP53LMNANPC1MAPK1HTT

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-1370522-A1 PHENYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISORDERS OR TUMOURS MERCK PATENT GmbH (DE) 2003-12-17 EP disclosed
WO-2002070471-A1 PHENYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISORDERS OR TUMOURS MERCK PATENT GMBH (DE) 2002-09-12 WO disclosed