SCHEMBL8014530

SCHEMBL8014530

CCCCS(=O)(=O)c1ccc(C(C)Nc2ncnc(C(C)F)c2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.34
CNR1 P21554 3/20 0.34
PIK3CA P42336 1/20 0.34
CNR2 P34972 1/20 0.33
P2RX3 P56373 1/20 0.33
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RORC P51449 2/20 0.32
MMP1 P03956 1/20 0.32
ACACB O00763 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31

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
SCHEMBL8014577 0.94 CNR1 (0.39) EGFRCNR1PIK3CACNR2P2RX3
SCHEMBL8024904 0.90 RORC (0.37) EGFRCNR1PIK3CACNR2P2RX3
SCHEMBL8024331 0.83 EGFR (0.47) EGFRCNR1PIK3CACNR2P2RX3
SCHEMBL8014444 0.79 SCN1A (0.36) EGFRMEN1KMT2A
SCHEMBL8026911 0.79 EGFR (0.33) EGFRCNR1CNR2P2RX3GALR3
SCHEMBL8025420 0.78 MAOA (0.37) EGFRCNR1CNR2P2RX3GALR3
SCHEMBL8014095 0.76 CNR1 (0.34) EGFRCNR1CNR2P2RX3GALR3
SCHEMBL8026760 0.76 CNR1 (0.35) EGFRCNR1CNR2P2RX3GALR3
SCHEMBL8024830 0.76 CNR1 (0.35) EGFRCNR1CNR2P2RX3GALR3
SCHEMBL8024317 0.75 EGFR (0.49) EGFRCNR1CNR2GALR3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543402-B1 Aralkylaminopyrimidine derivative, method for preparing the same and composition for controlling noxious organisms UBE INDUSTRIES (JP) 2000-03-01 EP claimed
US-5280025-A Aralkylaminopyrimidine derivative, and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1994-01-18 US claimed
EP-0543402-A1 Aralkylaminopyrimidine derivative, method for preparing the same and chemical for controlling noxious organisms containing the same UBE INDUSTRIES, LTD. (JP) 1993-05-26 EP claimed