SCHEMBL4378588

SCHEMBL4378588

CNC(C)=Nc1cc(C)c(Oc2ccc(-c3ccccc3)cc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
ACACB O00763 3/20 0.34
ACACA Q13085 3/20 0.34
FGFR2 P21802 1/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
LMNA P02545 1/20 0.32
MAP3K8 P41279 1/20 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
SCHEMBL18919551 0.77 LMNA (0.41) SIGMAR1DHODHPOLBL3MBTL1LMNA
SCHEMBL3634247 0.76 SLC6A4 (0.36) HTR2ASLC6A4DHODHPOLBL3MBTL1
SCHEMBL22528907 0.74 HTR2A (0.46) HTR2ASLC6A4
SCHEMBL3324009 0.74 CYP1A2 (0.35) HTR2ASLC6A4PPARGPPARDPPARA
SCHEMBL3324011 0.74 CYP1A2 (0.35) HTR2ASLC6A4PPARGPPARDPPARA
SCHEMBL28641251 0.70 TSPO (0.36) SLC6A4L3MBTL1LMNA
SCHEMBL3326013 0.70 SLC6A4 (0.34) HTR2ASLC6A4PPARGPPARDPPARA
SCHEMBL3326015 0.70 SLC6A4 (0.34) HTR2ASLC6A4PPARGPPARDPPARA
SCHEMBL4439450 0.70 CYP2C9 (0.35) HTR2ASLC6A4DHODHPOLBKMT2A
SCHEMBL16852493 0.67 ADORA1 (0.42) HTR2ASLC6A4MEN1KMT2AL3MBTL1

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-2120560-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-11-25 EP disclosed
WO-2008110315-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE TEHROF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-18 WO disclosed