SCHEMBL7960038

SCHEMBL7960038

CC(CCc1ccccc1)Nc1nc(Cl)nc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
G6PD P11413 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TLR7 Q9NYK1 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
SCHEMBL7954573 0.89 KCNH2 (0.41) ALDH1A1KCNH2TMEM97
SCHEMBL7964656 0.88 ALDH1A1 (0.46) SCN9AALDH1A1G6PDSIRT5
SCHEMBL7978091 0.87 SCN9A (0.44) SCN9AALDH1A1G6PDTLR7
SCHEMBL7613516 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7956751 0.80 KCNH2 (0.38) SCN9AALDH1A1KCNH2TMEM97SIRT5
SCHEMBL7978036 0.78 ALDH1A1 (0.45) SCN9AALDH1A1SIRT5
SCHEMBL27430762 0.77 SCN9A (0.53) SCN9AALDH1A1G6PDSIRT5
SCHEMBL8101266 0.76 HTR7 (0.46) SCN9AALDH1A1G6PD
SCHEMBL7978040 0.76 HTR7 (0.46) SCN9AALDH1A1G6PD
SCHEMBL7615508 0.76 IDH1 (0.34) ALDH1A1KCNH2TMEM97

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
US-6284710-B1 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-6271178-B1 APPLYING TO PLANTS; CONTROLLING WEEDS BAYER AG (DE) 2001-08-07 US disclosed
EP-0934285-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-11 EP disclosed
EP-0932605-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-04 EP disclosed
WO-1998015538-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed
WO-1998015539-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed