SCHEMBL11643151

SCHEMBL11643151

CC(N)C(=O)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.66
MTNR1B P49286 1/20 0.51
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
LTA4H P09960 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA1A P35348 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL11645507 0.88 XIAP (0.58) XIAPMTNR1BLTA4HCARM1PRMT6
SCHEMBL15623783 0.87 XIAP (0.68) XIAPMTNR1BLTA4HTAAR1MEN1
SCHEMBL11643107 0.85 XIAP (0.68) XIAPMTNR1BFNTAFNTBLTA4H
SCHEMBL11648371 0.84 XIAP (0.63) XIAPMTNR1BFNTAFNTBLTA4H
SCHEMBL11645067 0.82 XIAP (0.56) XIAPMTNR1BLTA4HTAAR1MEN1
SCHEMBL15680102 0.81 XIAP (0.62) XIAPMTNR1BLTA4HTAAR1MEN1
SCHEMBL16888002 0.81 XIAP (0.62) XIAPMTNR1BFNTAFNTBLTA4H
SCHEMBL11645678 0.81 XIAP (0.62) XIAPMTNR1BFNTAFNTBLTA4H
SCHEMBL11665786 0.81 XIAP (0.62) XIAPMTNR1BLTA4HTAAR1MEN1
SCHEMBL11642853 0.81 XIAP (0.70) XIAPMTNR1BLTA4HTAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed