SCHEMBL11055055

SCHEMBL11055055

Cc1cccc(Cl)c1-n1cnc(NCCOCCc2ccccc2)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.43
MAPK14 Q16539 2/20 0.38
KCNJ5 P48544 2/20 0.36
KCNJ3 P48549 2/20 0.36
P2RX7 Q99572 1/20 0.36
FGFR1 P11362 1/20 0.36
MKNK2 Q9HBH9 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
SCHEMBL11059310 0.91 CHRNA7 (0.44) CHRNA7MAPK14P2RX7FGFR1
SCHEMBL11059426 0.89 KMT2A (0.35) CHRNA7MKNK2
SCHEMBL11052481 0.89 MKNK1 (0.34) CHRNA7MAPK14P2RX7MKNK2
SCHEMBL11059488 0.85 MKNK1 (0.37) P2RX7MKNK2
SCHEMBL11050220 0.85 SMN1; SMN2 (0.43) CHRNA7MAPK14FGFR1MKNK2
SCHEMBL11057744 0.85 CHRNA7 (0.49) CHRNA7MAPK14FGFR1
SCHEMBL11059658 0.82 HTR7 (0.43) MKNK2
SCHEMBL11053517 0.82 TDP1 (0.38) CHRNA7MAPK14KCNJ5KCNJ3P2RX7
SCHEMBL11050309 0.81 CHRNA7 (0.43) CHRNA7MAPK14FGFR1
SCHEMBL11056309 0.80 MEN1 (0.36) CHRNA7P2RX7MKNK2

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