SCHEMBL11102198

SCHEMBL11102198

CCOC(=O)c1cnc2n(c1=O)CC(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
HPGD P15428 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 6/20 0.46
GAA P10253 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GLA P06280 4/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL11112154 0.81 HPGD (0.46) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL11090997 0.80 KDM4E (0.47) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL11092995 0.80 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL11089322 0.79 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL11094764 0.79 KDM4E (0.51) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL11184790 0.78 KDM4E (0.53) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL11105472 0.76 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL18586636 0.74 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10GAA
Hydrochloric Acid SCHEMBL11196585 0.74 KDM4E (0.49) KDM4EHPGDALDH1A1HSD17B10GAA
SCHEMBL18372237 0.73 RIPK1 (0.42) KDM4EHPGDALDH1A1HSD17B10GAA

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
US-4461769-A ANTIASTHEMIC AGENTS-PYRIDO(1,2-A)PYRIMIDINE COMPOUNDS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1984-07-24 US disclosed
US-4234586-A ASTHMA; 9-HYDRAZONO-4H-PYRIDO(1,2A)PYRIMIDINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1980-11-18 US disclosed