SCHEMBL2668587

SCHEMBL2668587

Cc1c(F)cccc1N(CC1CCCC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
EPHX1 P07099 1/20 0.38
TRPA1 O75762 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
HDAC4 P56524 1/20 0.35
PARP10 Q53GL7 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL12204358 0.85 ALOX5 (0.40) ALOX5EPHX1TRPA1PARP10ADORA2A
SCHEMBL12204197 0.85 ALOX5 (0.40) ALOX5MEN1KMT2ALPAR1LPAR5
SCHEMBL2668586 0.77 ALOX5 (0.47) ALOX5PARP10
SCHEMBL2668428 0.75 ALDH1A1 (0.41) ALOX5KMT2APARP10
SCHEMBL2668649 0.75 AAK1 (0.45) ALOX5MEN1KMT2APARP10
SCHEMBL2668498 0.74 PARP10 (0.44) PARP10
SCHEMBL2668459 0.74 KMT2A (0.43) ALOX5MEN1KMT2A
SCHEMBL2668510 0.74 NPSR1 (0.44) ALOX5KMT2A
SCHEMBL2668509 0.74 MEN1 (0.41) ALOX5EPHX1MEN1KMT2A
SCHEMBL2668670 0.74 ALOX5 (0.36) ALOX5MEN1KMT2ASLC6A2SLC6A4

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-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed