SCHEMBL19086972

SCHEMBL19086972

CCC(C(=O)O)n1nc(N)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
POLB P06746 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
APAF1 O14727 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
Hydrochloric Acid SCHEMBL21847654 0.75 MAPK1 (0.40) KDM4EPOLBL3MBTL1TAAR1HSD17B10
SCHEMBL19086926 0.73 KDM4E (0.38) KDM4EPOLBL3MBTL1HSD17B10MAPT
SCHEMBL30475235 0.71 PIK3CG (0.36)
SCHEMBL2817008 0.70 PIK3CG (0.38) POLBCYP2C19SMN1; SMN2
SCHEMBL26424364 0.69 PIK3CG (0.37)
SCHEMBL11828573 0.68 ALDH1A1 (0.73) KDM4EPOLBMAPTMEN1CYP2C19
SCHEMBL7330645 0.68 KDM4E (0.46) KDM4EPOLBL3MBTL1HSD17B10MAPT
SCHEMBL11620839 0.67 MAPT (0.47) KDM4EPOLBHSD17B10MAPTTDP1
SCHEMBL22000962 0.67 PIK3CG (0.36)
SCHEMBL173908 0.67 ENPP3 (0.42) KDM4EPOLBL3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed