SCHEMBL16409693

SCHEMBL16409693

CN/N=C/c1ccc2c(c1)CCc1c-2nn(C)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
SLC34A1 Q06495 3/20 0.34
PDE2A O00408 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
S1PR1 P21453 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
PLK1 P53350 3/20 0.32
CCNA1 P78396 3/20 0.32
PLK3 Q9H4B4 3/20 0.32
PLK2 Q9NYY3 3/20 0.32

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
SCHEMBL16401563 0.85 KDM4E (0.38) HTR2AHTR2CHTR2BSLC34A1KDM4E
SCHEMBL16401145 0.82 LMNA (0.43) MAPTBCHEACHEBACE1MEN1
SCHEMBL16401144 0.82 LMNA (0.43) MAPTBCHEACHEBACE1MEN1
SCHEMBL19315684 0.78 S1PR1 (0.41) HTR2AHTR2CHTR2BSLC34A1HRH3
SCHEMBL16401142 0.78 MAPT (0.34) HTR2AMAPT
SCHEMBL16409675 0.76 LMNA (0.43) MAPTMEN1GAARAB9AKMT2A
SCHEMBL19315816 0.72 S1PR1 (0.38) S1PR1MEN1NPC1MITFGAA
SCHEMBL19315839 0.71 MAPT (0.36) SLC34A1KDM4EMAPTBCHEACHE
SCHEMBL16400911 0.71 HTR2A (0.38) HTR2AHTR2CHTR2BSLC34A1PDE2A
SCHEMBL16409697 0.70 KDM4E (0.46) KDM4EMAPTBCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 WO disclosed