SCHEMBL8708337

SCHEMBL8708337

COC(=O)c1nccnc1N(CCCl)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8934162 0.94 NPC1 (0.39) L3MBTL1SMN1; SMN2KDM4ENPC1TDP1
SCHEMBL7857665 0.82 KDM4E (0.33) L3MBTL1NPSR1KDM4ECYP1A2ALDH1A1
SCHEMBL71518 0.70 NPSR1 (0.59) L3MBTL1NPSR1SMN1; SMN2KDM4ETDP1
SCHEMBL29133980 0.69 L3MBTL1 (0.41) L3MBTL1NPSR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL13482134 0.69 TMPRSS15 (0.41) L3MBTL1NPSR1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1452596 0.68 L3MBTL1 (0.44) L3MBTL1NPSR1SMN1; SMN2KDM4ECYP1A2
SCHEMBL10567090 0.68 KMT2A (0.44) L3MBTL1SMN1; SMN2KDM4ECYP1A2NPC1
SCHEMBL10565017 0.68 SMN1; SMN2 (0.36) SMN1; SMN2KDM4EALDH1A1
SCHEMBL13482930 0.68 FFAR4 (0.41) L3MBTL1NPSR1SMN1; SMN2KDM4E
SCHEMBL29133916 0.67 KMT2A (0.45) L3MBTL1NPSR1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792767-A TREATMENT OF BENIGN PROSTATIC HYPERTROPY ABBOTT LABORATORIES (US) 1998-08-11 US disclosed