SCHEMBL7491104

SCHEMBL7491104

CCCNC(=O)c1ccc(Cl)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
POLB P06746 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.46
VNN1 O95497 1/20 0.43
HSP90AA1 P07900 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL13753103 0.82 HPGD (0.73) HPGDPOLBHTTL3MBTL1THRB
SCHEMBL28253118 0.80 S1PR3 (0.46) HPGDPOLBHTTTHRBRECQL
SCHEMBL18620833 0.77 VNN1 (0.44) HPGDHTTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL23289653 0.77 ALDH1A1 (0.54) POLBL3MBTL1ALDH1A1NAMPT
SCHEMBL22557471 0.77 HPGD (0.56) HPGDPOLBHTTL3MBTL1THRB
SCHEMBL6869441 0.77 S1PR3 (0.52) LMNA
SCHEMBL8129368 0.77 MAPK3 (0.44) HPGDPOLBTHRBRECQLKMT2A
SCHEMBL6359493 0.75 KMT2A (0.59) POLBL3MBTL1KMT2AKDM4ENAMPT
SCHEMBL24494667 0.75 VCAM1 (0.46) KMT2AALDH1A1VNN1NPC1RAB9A
SCHEMBL10079549 0.75 SMN1; SMN2 (0.56) HPGDPOLBHTTL3MBTL1THRB

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-1242396-A1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 WO disclosed