SCHEMBL27339784

SCHEMBL27339784

COC(=O)CNC(N)=NN1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.50
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR2 P30518 1/20 0.42
SCN2A Q99250 1/20 0.41
PKM P14618 2/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL27261695 0.80 ALDH1A1 (0.38) NOTUMHTTALDH1A1TSHR
SCHEMBL4984056 0.73 KMT2A (0.48) NOTUMMEN1KMT2ASCN2AUSP2
SCHEMBL27279518 0.71 KDM4E (0.43) MAPTALDH1A1TSHRLMNA
SCHEMBL5859165 0.70 NOTUM (0.59) NOTUMMEN1KMT2AUSP2MAPT
SCHEMBL8593659 0.69 NOTUM (0.79) NOTUMMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5860023 0.68 MEN1 (0.68) NOTUMHTTMEN1KMT2AUSP2
SCHEMBL2280011 0.67 NOTUM (1.00) NOTUMMEN1KMT2APKMUSP2
Hydrochloric Acid SCHEMBL19150407 0.67 MEN1 (0.67) NOTUMHTTMEN1KMT2AUSP2
SCHEMBL27260960 0.67 KMO (0.39) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL31443161 0.66 ALDH1A1 (0.44) HTTMEN1KMT2APKMRAB9A

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
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed