SCHEMBL9053288

SCHEMBL9053288

CNc1nc(NC)nc(N(C)CO)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
CYP1A2 P05177 2/20 0.35
GAA P10253 2/20 0.35
CYP2C19 P33261 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 3/20 0.35
ALDH1A1 P00352 3/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL8630204 0.96 LMNA (0.36) LMNAOPRM1OPRL1CYP1A2GAA
SCHEMBL11041809 0.88 LMNA (0.33) LMNAALDH1A1CA12CA1CA2
SCHEMBL12869603 0.87 ALDH1A1 (0.33) LMNACYP1A2GAACYP2C19L3MBTL1
Formaldehyde SCHEMBL1979613 0.84 CA12 (0.33) LMNAALDH1A1CA12CA1CA2
SCHEMBL11764172 0.81 GAA (0.42) LMNACYP1A2GAACYP2C19L3MBTL1
SCHEMBL12656821 0.80 CYP1A2 (0.41) LMNAOPRM1OPRL1CYP1A2GAA
Trimelamol SCHEMBL1419460 0.78 LMNA (0.42) LMNACYP1A2ALDH1A1CA12CA1
SCHEMBL14869408 0.77 CA1 (0.44) LMNAOPRM1OPRL1CYP1A2GAA
SCHEMBL6274301 0.77 GAA (0.38) CYP1A2GAACYP2C19L3MBTL1ALDH1A1
SCHEMBL13562970 0.76 LMNA (0.37) LMNAOPRM1OPRL1CYP1A2GAA

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
WO-1996004000-A1 PEPTIDE-BASED NUCLEIC ACID MIMICS (PENAMs) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-02-15 WO disclosed