SCHEMBL5062385

SCHEMBL5062385

CCc1nc2c(=O)[nH]c(N)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
PNP P00491 2/20 0.39
DYRK1A Q13627 1/20 0.39
TYMS P04818 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10875892 0.82 PNP (0.47) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL10006403 0.82 KDM4E (0.49) ALDH1A1GLAKDM4ELMNAPMP22
8-Aminoguanine SCHEMBL21760 0.78 KDM4E (0.60) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL786949 0.78 NPSR1 (0.50) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL29819457 0.78 KDM4E (0.51) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL160586 0.76 ALDH1A1 (0.53) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL10711111 0.73 PNP (0.51) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL9666659 0.72 KDM4E (0.47) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL12820579 0.72 HTT (0.46) ALDH1A1GLAKDM4ELMNAPMP22
SCHEMBL158423 0.72 KDM4E (0.53) ALDH1A1GLAKDM4ELMNAPMP22

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510170-B1 CONVERTIBLE ADAPTERS TECHNISCHE HOCHSCHULE WILDAU (DE) 2021-10-13 EP claimed
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed