Simazine

Simazine

SCHEMBL9130727

CCNc1nc(Cl)nc(NCC)n1.CCNc1nc(Cl)nc(NCC)n1.CCNc1nc(Cl)nc(NCC)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 1.00
KMT2A Q03164 4/20 0.55
MAPT P10636 1/20 0.55
PDE4A P27815 1/20 0.53
GAA P10253 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Simazine SCHEMBL8409822 1.00 LMNA (1.00) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL37774 1.00 LMNA (1.00) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL28076157 0.97 LMNA (0.95) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL23716534 0.95 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL9123386 0.95 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA
Simazine SCHEMBL4731210 0.95 LMNA (0.91) LMNAKMT2AMAPTPDE4AGAA
SCHEMBL4831154 0.95 LMNA (0.90) LMNAKMT2AMAPTPDE4AGAA
SCHEMBL29609639 0.91 LMNA (0.83) LMNAKMT2AMAPTPDE4ACYP1A2
SCHEMBL7101507 0.91 LMNA (0.83) LMNAKMT2AMAPTPDE4ACYP1A2
SCHEMBL2356311 0.89 LMNA (0.79) LMNAKMT2AMAPTPDE4AGAA

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-5460723-A A water apparatus comprising at least one nanofiltration membrane mounted at the exit from the treatment to complete eliminating the microcontaminants OMNIUM DE TRAITEMENT ET DE VALORRSATION (OTV) S.A. (FR) 1995-10-24 US disclosed