SCHEMBL8537334

SCHEMBL8537334

CCNc1nc(Cl)nc(N(CC)CC)n1.CCNc1nc(Cl)nc(N(CC)CC)n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
GAA P10253 3/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PDE4A P27815 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL29355285 1.00 LMNA (0.64) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL65969 1.00 LMNA (0.64) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL27797742 0.96 LMNA (0.60) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL27859402 0.91 LMNA (0.53) LMNAGAACYP1A2CYP2C19L3MBTL1
Terbuthylazine SCHEMBL17841769 0.88 KMT2A (0.57) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL761988 0.86 GAA (0.61) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL762576 0.86 GAA (0.55) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL6716129 0.86 GAA (0.61) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL28205630 0.85 LMNA (0.47) LMNAGAACYP1A2CYP2C19L3MBTL1
SCHEMBL8333505 0.85 GAA (0.51) LMNAGAACYP1A2CYP2C19L3MBTL1

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-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
WO-1992020684-A1 HERBICIDAL OXATRICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-26 WO disclosed
WO-1992013861-A1 HERBICIDAL BICYCLIC ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-08-20 WO disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed