SCHEMBL11645477

SCHEMBL11645477

CCCCNC(=O)Nc1ccc(Oc2ccccc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HTT P42858 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
HDAC3 O15379 1/20 0.48
EPHX1 P07099 4/20 0.47
MEN1 O00255 1/20 0.47
EPHX2 P34913 1/20 0.45
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MTNR1B P49286 1/20 0.44
P2RY1 P47900 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL11644597 0.91 POLB (0.52) POLBHTTALDH1A1KMT2AMAPT
SCHEMBL11643643 0.88 MTNR1B (0.56) ALDH1A1KMT2AMAPTGAAHDAC3
SCHEMBL11643938 0.86 CYP1A2 (0.54) KMT2AMEN1SMN1; SMN2MTNR1B
SCHEMBL11644543 0.83 KMT2A (0.43) HTTALDH1A1KMT2AHDAC3EPHX1
SCHEMBL11644947 0.81 NAMPT (0.52) POLBALDH1A1KMT2AGAAL3MBTL1
SCHEMBL11522204 0.81 POLB (0.47) POLBHTTALDH1A1KMT2AMAPT
SCHEMBL11646505 0.81 GCK (0.56) ALDH1A1HDAC3SMN1; SMN2
SCHEMBL11672121 0.80 MTNR1A (0.54) POLBHTTALDH1A1KMT2AMAPT
SCHEMBL11788116 0.80 POLB (0.53) POLBHTTALDH1A1MAPTGAA
SCHEMBL4783711 0.79 EPHX2 (0.55) POLBHTTALDH1A1MAPTEPHX1

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