SCHEMBL11644604

SCHEMBL11644604

N#Cc1ccc(OCCC(N)C(=O)Nc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.54
KCNA5 P22460 1/20 0.53
S1PR1 P21453 2/20 0.52
S1PR3 Q99500 2/20 0.52
HDAC8 Q9BY41 1/20 0.49
MMP2 P08253 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
IL18 Q14116 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 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
SCHEMBL11644971 0.88 LTA4H (0.47) LTA4HS1PR1S1PR3HDAC8LMNA
SCHEMBL11639881 0.88 LTA4H (0.59) LTA4HS1PR1S1PR3HDAC8KMT2A
SCHEMBL11645656 0.85 LMNA (0.60) LTA4HS1PR1S1PR3HDAC8KMT2A
SCHEMBL11691654 0.85 ALDH1A1 (0.61) LTA4HS1PR1S1PR3HDAC8KMT2A
SCHEMBL11643760 0.85 S1PR1 (0.57) LTA4HS1PR1S1PR3HDAC8KMT2A
SCHEMBL11643286 0.85 LTA4H (0.56) LTA4HKCNA5S1PR1S1PR3HDAC8
SCHEMBL11644742 0.84 S1PR1 (0.59) LTA4HS1PR1S1PR3HDAC8KMT2A
SCHEMBL11644156 0.82 SMN1; SMN2 (0.56) LTA4HS1PR1S1PR3HDAC8MAPT
SCHEMBL11647275 0.82 S1PR1 (0.58) LTA4HS1PR1S1PR3HDAC8LMNA
SCHEMBL11647845 0.82 S1PR1 (0.58) LTA4HS1PR1S1PR3HDAC8KMT2A

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