SCHEMBL11734871

SCHEMBL11734871

O=C1NC(c2ccccn2)C(c2ccccn2)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.50
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CTH P32929 1/20 0.36
GSK3B P49841 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10244710 0.81 ALDH1A1 (0.42) GRM5ALDH1A1KMT2ARAB9AMAPT
SCHEMBL13642170 0.80 GRM5 (0.49) GRM5KMT2ASMN1; SMN2HTT
SCHEMBL13641764 0.80 GRM5 (0.49) GRM5KMT2ASMN1; SMN2HTT
SCHEMBL5021798 0.80 GRM5 (0.58) GRM5
SCHEMBL4559488 0.77 GRM5 (0.73) GRM5
SCHEMBL5022046 0.77 GRM5 (0.73) GRM5
SCHEMBL5021666 0.76 GRM5 (0.60) GRM5ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5021667 0.76 GRM5 (0.60) GRM5ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5022052 0.72 GRM5 (0.50) GRM5
SCHEMBL5022051 0.72 GRM5 (0.50) GRM5

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
US-4059447-A Photographic material containing oxazolinone-2 couplers AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed