SCHEMBL4659258

SCHEMBL4659258

CNC(=O)c1c[nH]cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CFTR P13569 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK9 P45984 4/20 0.38
MAPK10 P53779 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK3 P27361 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.37
PTK2 Q05397 2/20 0.36
LRRK2 Q5S007 2/20 0.36
PLK1 P53350 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL70873 0.78 CFTR (0.50) GAACFTRALDH1A1LMNAKDM4E
SCHEMBL10428536 0.75 NOTUM (0.46) ALDH1A1KDM4E
SCHEMBL23772062 0.74 CREBBP (0.36) GAACFTRKDM4E
SCHEMBL20885320 0.74 BRD4 (0.41) GAACFTRALDH1A1LMNAKDM4E
SCHEMBL1267035 0.73 GAA (0.70) GAALMNARXFP1PLK1
SCHEMBL30745167 0.73 GAA (0.70) GAALMNARXFP1PLK1
SCHEMBL14067041 0.72 CFTR (0.42) GAACFTRALDH1A1MAPK9MAPK10
SCHEMBL13407881 0.70 GAA (0.46) GAACFTRALDH1A1LMNAKDM4E
SCHEMBL2185981 0.70 KDM4E (0.53) ALDH1A1LMNAKDM4E
SCHEMBL4114660 0.69 ALDH1A1 (0.39) GAACFTRALDH1A1MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916894-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE Bayer CropScience Aktiengesellschaft (DE) 2008-05-07 EP disclosed
WO-2007031141-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING A CARBOXAMIDE, AN AZOLE, A SECOND AZOLE OR A STROBILURINE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 WO disclosed