SCHEMBL2668428

SCHEMBL2668428

NC(=O)N(CC1CCCC1)c1ccc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 3/20 0.40
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ACKR3 P25106 1/20 0.36
PARP10 Q53GL7 1/20 0.36
BACE1 P56817 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR3 P49682 1/20 0.36
PDK1 Q15118 1/20 0.35
EPHX2 P34913 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL2668649 0.84 AAK1 (0.45) ALDH1A1ALOX5KMT2APARP10
SCHEMBL2668512 0.82 NPC1 (0.47) ALDH1A1ALOX5PDK1OPRL1
SCHEMBL2668586 0.81 ALOX5 (0.47) ALOX5PARP10EPHX2
SCHEMBL2668498 0.81 PARP10 (0.44) ALDH1A1PARP10EPHX2
SCHEMBL2668509 0.80 MEN1 (0.41) ALDH1A1ALOX5KMT2APSEN1PSEN2
SCHEMBL12204358 0.79 ALOX5 (0.40) ALOX5PARP10PDK1OPRL1
SCHEMBL2668513 0.77 ALOX5 (0.42) ALOX5PARP10PDK1
SCHEMBL2668511 0.76 NPC1 (0.41) L3MBTL1ALOX5KMT2APSEN1PSEN2
SCHEMBL2668587 0.75 ALOX5 (0.41) ALOX5KMT2APARP10
SCHEMBL2668497 0.74 SLC6A2 (0.44) ALOX5EPHX2OPRL1

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
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed