SCHEMBL27368205

SCHEMBL27368205

[CH2]C(C)(C)Nc1nc(Cl)nc(NCC)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
PDE4A P27815 5/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.43

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
Terbuthylazine SCHEMBL23642 0.85 KMT2A (0.74) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Terbuthylazine SCHEMBL8539245 0.85 KMT2A (0.74) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Terbuthylazine SCHEMBL9715292 0.85 KMT2A (0.74) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Terbuthylazine SCHEMBL29623015 0.85 KMT2A (0.74) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Terbuthylazine SCHEMBL27492098 0.84 KMT2A (0.72) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Simazine SCHEMBL37774 0.82 LMNA (1.00) LMNAKMT2ASMN1; SMN2PDE4ACYP1A2
Simazine SCHEMBL9130727 0.82 LMNA (1.00) LMNAKMT2ASMN1; SMN2PDE4ACYP1A2
Simazine SCHEMBL8409822 0.82 LMNA (1.00) LMNAKMT2ASMN1; SMN2PDE4ACYP1A2
Cyanazine SCHEMBL7029579 0.81 PDE4A (0.69) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1
Cyanazine SCHEMBL29413960 0.81 PDE4A (0.69) LMNAKMT2ASMN1; SMN2PDE4AALDH1A1

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-1065181-A WATER-DISPERSIBLE GRANULES AGRICULTURAL COMPOSITIONS MADE BY HEAT EXTRUSION DU PONT (US) 1992-10-14 CN disclosed