SCHEMBL29099348

SCHEMBL29099348

Cc1cccc(COC=NO)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GRM5 P41594 2/20 0.36
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
P2RX7 Q99572 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRM1 Q13255 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 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
SCHEMBL29099361 0.80 FAAH (0.34) MBOAT4KCNH2KDM1AMAOAMAOB
SCHEMBL25399338 0.79 MEN1 (0.37) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL5924102 0.77 SMN1; SMN2 (0.41) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL526380 0.74 CCR1 (0.39) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL526379 0.74 CCR1 (0.39) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL25399343 0.73 HSD17B3 (0.39) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL791993 0.72 CCR1 (0.44) MEN1KMT2AOPRM1OPRD1CCR1
SCHEMBL29099354 0.71 POLB (0.34)
SCHEMBL6822761 0.71 NOS3 (0.45) MEN1KMT2AOPRM1OPRD1GRM5
SCHEMBL29099352 0.70 PKM (0.43) MEN1KMT2ASMN1; SMN2

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
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed