SCHEMBL11059558

SCHEMBL11059558

CC(C)c1cccc(Cl)c1-n1cnc(N)nc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.38
SRC P12931 2/20 0.38
EGFR P00533 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
HCAR1 Q9BXC0 2/20 0.37
ANPEP P15144 1/20 0.36
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
DPP4 P27487 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PRMT5 O14744 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL11053990 0.86 HCAR1 (0.48) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL11057576 0.85 ALDH1A1 (0.39) HCAR1ANPEPP2RX3P2RX2DPP4
SCHEMBL11054591 0.82 CHRNA7 (0.46) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL11055617 0.81 FGFR1 (0.39) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL11053190 0.80 KDM4E (0.40) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL11056344 0.78 EGFR (0.37) FGFR1SRCEGFRFGFR2FGFR4
SCHEMBL11052581 0.74 HCAR1 (0.48) FGFR1HCAR1ANPEPDPP4ALDH1A1
SCHEMBL11053265 0.73 HCAR1 (0.38) HCAR1ANPEPNFKB1DPP4ALDH1A1
SCHEMBL11057586 0.70 ELANE (0.36) HCAR1ALDH1A1LMNA
SCHEMBL11402688 0.69 SRC (0.37) FGFR1SRCEGFRFGFR2FGFR4

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
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed