SCHEMBL11646196

SCHEMBL11646196

CC(N)C(=O)Nc1ccc(Oc2ccccc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 1.00
LTA4H P09960 2/20 0.55
TAAR1 Q96RJ0 2/20 0.55
CARM1 Q86X55 3/20 0.54
PRMT6 Q96LA8 3/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ESRRA P11474 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PNLIP P16233 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 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
SCHEMBL11645391 0.87 XIAP (0.77) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL11640639 0.85 XIAP (0.74) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL11642853 0.83 XIAP (0.70) XIAPLTA4HTAAR1SMN1; SMN2RAB9A
SCHEMBL15623783 0.82 XIAP (0.68) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL11643107 0.81 XIAP (0.68) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL11643151 0.80 XIAP (0.66) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL1701888 0.79 XIAP (0.65) XIAPMEN1KMT2AMAPTLMNA
SCHEMBL11642962 0.78 XIAP (0.64) XIAPLTA4HTAAR1CARM1PRMT6
SCHEMBL11642254 0.78 XIAP (0.64) XIAPLTA4HMEN1KMT2AMAPT
SCHEMBL11648371 0.77 XIAP (0.63) XIAPLTA4HTAAR1CARM1PRMT6

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 6 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-4021571-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-03 US disclosed
US-4005123-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed