SCHEMBL5021601

SCHEMBL5021601

CC(C)(C)c1nc2c(=O)[nH]c(N)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
PMP22 Q01453 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.42
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
DYRK1A Q13627 1/20 0.39
PNP P00491 3/20 0.37
AKR1B1 P15121 2/20 0.35
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL1270582 0.82 KDM4E (0.49) KDM4EALDH1A1LMNAGLAPMP22
8-Aminoguanine SCHEMBL21760 0.78 KDM4E (0.60) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL160586 0.76 ALDH1A1 (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL10007309 0.75 KDM4E (0.49) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL29819457 0.74 KDM4E (0.51) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL42761 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL844206 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL9115 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL2206472 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL158423 0.72 KDM4E (0.53) KDM4EALDH1A1LMNAGLAPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
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-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