SCHEMBL7115688

SCHEMBL7115688

CCNc1nc(Cl)nc(N(C#N)C(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 5/20 0.48
CREBBP Q92793 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.44
PDE4A P27815 1/20 0.43
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11348651 0.80 LMNA (0.56) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL3673972 0.78 LMNA (0.50) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL4345481 0.77 LMNA (0.56) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL10577183 0.77 ALDH1A1 (0.67) GAALMNAALDH1A1CREBBPTSHR
SCHEMBL11808524 0.75 LMNA (0.53) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL65969 0.73 LMNA (0.64) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL8537334 0.73 LMNA (0.64) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL29355285 0.73 LMNA (0.64) GAALMNAL3MBTL1ALDH1A1CREBBP
SCHEMBL8883810 0.71 LMNA (0.61) GAALMNAL3MBTL1ALDH1A1CREBBP
Simazine SCHEMBL8409822 0.71 LMNA (1.00) GAALMNAL3MBTL1PDE4ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429612-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE Bayer CropScience AG (DE) 2004-06-23 EP claimed
WO-2003026426-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2003-04-03 WO claimed
EP-0784431-A1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AG (DE) 1997-07-23 EP claimed
WO-1996010333-A1 SYNERGISTIC ACTIVE SUBSTANCE HERBICIDE COMBINATIONS WITH 1-(2,6-DICHLORO-4-DIFLUOROMETHYL-PHENYL)-5-(2-CHLOROPROPIONAMIDO)-4-NITROPYRAZOL BAYER AKTIENGESELLSCHAFT (DE) 1996-04-11 WO claimed
US-5051125-A S-ethyl cyclohexylethyl thiocarbamate and 2-chloro-4-(ethylamino)-6-(2-cyanoisopropylamino)-s-triazine ICI AMERICAS INC. (US) 1991-09-24 US claimed
EP-0184870-A1 Synergistic herbicidal composition STAUFFER CHEMICAL COMPANY (US) 1986-06-18 EP claimed
US-5051125-A S-ethyl cyclohexylethyl thiocarbamate and 2-chloro-4-(ethylamino)-6-(2-cyanoisopropylamino)-s-triazine ICI AMERICAS INC. (US) 1991-09-24 US disclosed
EP-0184870-A1 Synergistic herbicidal composition STAUFFER CHEMICAL COMPANY (US) 1986-06-18 EP disclosed
EP-0182740-A2 Synergistic agents and method for the selective control of weeds, particularly in cereal crops CIBA-GEIGY AG (CH) 1986-05-28 EP disclosed
US-4581434-A USING DIFUNCTION COUPLING MEMBER TO LINK PESTICIDE TO A POLYETHER BAYER AKTIENGESELLSCHAFT (DE) 1986-04-08 US disclosed