SCHEMBL8639738

SCHEMBL8639738

CNc1nc(Cl)nc(NC(C)(C)C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.83
LMNA P02545 2/20 0.83
KMT2A Q03164 1/20 0.59
GAA P10253 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PDE7A Q13946 1/20 0.40

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
SCHEMBL9387084 0.91 LMNA (1.00) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL14438979 0.89 PDE4A (0.78) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL6168317 0.86 LMNA (0.90) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL410475 0.83 PDE4A (0.70) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL3831106 0.79 PDE4A (1.00) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL27019339 0.78 PDE4A (0.64) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL2242634 0.78 PDE4A (0.62) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL10619199 0.78 SMN1; SMN2 (0.74) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
Terbuthylazine SCHEMBL9715292 0.78 KMT2A (0.74) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA
Terbuthylazine SCHEMBL29623015 0.78 KMT2A (0.74) PDE4ACYP1A2CYP2C19SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785717-B1 STABLE MIXTURE CONTAINING WATER AND METAZACHLOR BASF AG (DE) 1998-08-19 EP disclosed
EP-0088049-B1 HERBICIDAL MIXTURES CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
EP-0088049-A1 Herbicidal mixtures CIBA-GEIGY AG (CH) 1983-09-07 EP disclosed
US-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
EP-0012717-A1 Method and composition for the selective pre-emergent control of weeds in cereal cultures CIBA-GEIGY AG (CH) 1980-06-25 EP disclosed
US-4066437-A TRIAZOLIDINE COMPOUNDS USEFUL AS HERBICIDES CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed