SCHEMBL2452218

SCHEMBL2452218

NC(=O)C1CCCN(c2cccc(F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.52
ALDH1A1 P00352 1/20 0.50
FPR2 P25090 1/20 0.47
SCN9A Q15858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD11B1 P28845 1/20 0.46
NOTUM Q6P988 4/20 0.46
POLB P06746 1/20 0.46
PRKDC P78527 1/20 0.45
LMNA P02545 1/20 0.45
CDK9 P50750 1/20 0.43
DPP4 P27487 3/20 0.43
DPP9 Q86TI2 3/20 0.43
DPP7 Q9UHL4 3/20 0.43
DPP8 Q6V1X1 2/20 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
SCHEMBL2449229 0.85 NOTUM (0.64) ALDH1A1MEN1KMT2ANOTUMPRKDC
SCHEMBL2445431 0.84 NOTUM (0.65) ALDH1A1MEN1KMT2ANOTUMPRKDC
SCHEMBL29735291 0.83 HSD11B1 (0.49) BPTFALDH1A1MEN1KMT2AHSD11B1
SCHEMBL2449550 0.83 NOTUM (0.61) ALDH1A1FPR2SCN9AMEN1KMT2A
SCHEMBL2446475 0.83 KMT2A (0.62) ALDH1A1MEN1KMT2ANOTUMPRKDC
SCHEMBL2450319 0.82 WDR91 (0.48) ALDH1A1FPR2SCN9ANOTUMPRKDC
SCHEMBL2449553 0.82 MTNR1A (0.51) MEN1KMT2ANOTUM
SCHEMBL24195922 0.80 PRKDC (0.47) ALDH1A1FPR2SCN9AMEN1KMT2A
SCHEMBL24195929 0.80 PRKDC (0.47) ALDH1A1FPR2SCN9AMEN1KMT2A
SCHEMBL2557961 0.79 NOTUM (0.72) BPTFNOTUM

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
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed