SCHEMBL11645013

SCHEMBL11645013

CC(N)C(=O)Nc1cccc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.54
OGG1 O15527 1/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
P2RX4 Q99571 2/20 0.53
CDK8 P49336 1/20 0.52
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MTNR1B P49286 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11648371 0.91 XIAP (0.63) XIAPOGG1KMT2AL3MBTL1P2RX4
SCHEMBL11644482 0.91 XIAP (0.60) XIAPCDK8ALDH1A1MTNR1BTSHR
SCHEMBL11645434 0.87 XIAP (0.58) XIAPKMT2AHPGDNPC1RAB9A
SCHEMBL11645507 0.87 XIAP (0.58) XIAPCDK8RAB9AALDH1A1MTNR1B
SCHEMBL11646321 0.86 XIAP (0.55) XIAPKMT2AL3MBTL1P2RX4TSHR
SCHEMBL11644122 0.86 CDK8 (0.49) OGG1KMT2AL3MBTL1P2RX4CDK8
SCHEMBL11645644 0.85 MTNR1B (0.65) KMT2AL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL11645837 0.85 CDK8 (0.53) XIAPKMT2ACDK8ALDH1A1MTNR1B
SCHEMBL11645391 0.84 XIAP (0.77) XIAPKMT2AL3MBTL1P2RX4ALDH1A1
SCHEMBL11642716 0.84 MTNR1B (0.64) XIAPKMT2AL3MBTL1CDK8HPGD

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