SCHEMBL4572230

SCHEMBL4572230

NC(=O)Nc1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.53
PEPD P12955 1/20 0.52
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KIF11 P52732 4/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 2/20 0.44
RAD51 Q06609 2/20 0.42
MIF P14174 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
SCHEMBL31651948 0.85 P2RY6 (0.56) P2RY6NPC1MAPTCA1CA2
SCHEMBL728602 0.83 P2RY6 (0.58) P2RY6ALDH1A1GAAMAPTKIF11
SCHEMBL3804765 0.81 RAB9A (0.56) P2RY6ALDH1A1NPC1GAAMAPT
SCHEMBL25392431 0.80 NPC1 (0.52) P2RY6NPC1GAACA1CA2
SCHEMBL3795582 0.78 RAB9A (0.50) P2RY6NPC1MAPTCA1CA2
SCHEMBL9921321 0.78 PEPD (0.61) PEPDALDH1A1NPC1GLAGAA
SCHEMBL5062623 0.77 PEPD (0.80) PEPDALDH1A1NPC1GLAGAA
SCHEMBL1105876 0.76 PEPD (0.59) PEPDALDH1A1NPC1GLAGAA
SCHEMBL22883166 0.76 P2RY6 (0.58) P2RY6ALDH1A1NPC1GAAMAPT
SCHEMBL27897444 0.75 HSD17B10 (0.53) P2RY6ALDH1A1MAPTCA1CA2

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-2452702-B1 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics BIOTRONIK AG (CH) 2015-03-04 EP disclosed
EP-2452702-A2 Functionalized RGD peptidomimetics and their manufacture, and implant having a coating containing such functionalized RGD peptidomimetics Biotronik AG (CH) 2012-05-16 EP disclosed