SCHEMBL9565269

SCHEMBL9565269

COC(=O)Oc1ccnc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9196191 0.82 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1KDM4EHPGD
SCHEMBL27850219 0.81 KDM4E (0.44) MTNR1AMTNR1BTRPV1ALDH1A1PLAAT3
SCHEMBL9565278 0.79 PLAAT3 (0.34) TRPV1ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL9565270 0.79 PLAAT3 (0.37) TRPV1ALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL15881243 0.78 LMNA (0.35) TRPV1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL25984978 0.77 KDM4C (0.44) ALDH1A1L3MBTL1AAK1SMN1; SMN2NPC1
SCHEMBL6643662 0.77 MEN1 (0.46) TRPV1ALDH1A1KDM4EL3MBTL1AAK1
SCHEMBL9565271 0.77 ELANE (0.42) ALDH1A1HPGDL3MBTL1SMN1; SMN2NPC1
SCHEMBL9326030 0.75 L3MBTL1 (0.52) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL6225917 0.75 KDM4E (0.48) MTNR1AMTNR1BALDH1A1KDM4EHPGD

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-0552760-A1 Microbiological process for the preparation of 2-halopyrimidine-4-carboxylic acids LONZA AG (CH) 1993-07-28 EP disclosed