SCHEMBL9836742

SCHEMBL9836742

C=Cn1ncc2c(OCC)c(C(=O)OCC)cnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 4/20 0.47
PDE4B Q07343 7/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PDE5A O76074 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4336531 0.82 MAPT (0.71) MAPTSMN1; SMN2KDM4EPDE4BNPC1
SCHEMBL2772405 0.81 PDE4B (0.65) MAPTSMN1; SMN2KDM4EPDE4BNPC1
SCHEMBL9838365 0.80 PDE4B (0.48) MAPTSMN1; SMN2KDM4EPDE4BPDE5A
SCHEMBL29170030 0.75 ALDH1A1 (0.59) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4341887 0.74 PDE4B (0.62) MAPTSMN1; SMN2PDE4BKMT2A
SCHEMBL9836698 0.74 MAPT (0.49) MAPTSMN1; SMN2KDM4EPDE4BPDE5A
SCHEMBL9836753 0.73 PDE4B (0.48) MAPTSMN1; SMN2KDM4EPDE4BPDE5A
SCHEMBL8284895 0.71 PDE4B (0.49) MAPTSMN1; SMN2KDM4EPDE4BPDE5A
SCHEMBL5504475 0.69 KMT2A (0.62) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL9836656 0.68 PDE4B (0.53) MAPTPDE4BPDE5AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180318-B1 AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-11-06 EP disclosed
US-4745121-A AMINE OR CARBOXAMIDE SUBSTITUTED ICI AMERICAS INC. (US) 1988-05-17 US disclosed
EP-0180318-A1 Amide derivatives ICI AMERICAS INC. (US) 1986-05-07 EP disclosed