SCHEMBL12366133

SCHEMBL12366133

[C-]#[N+]CC(=O)NCc1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RIPK1 Q13546 1/20 0.50
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
PPIA P62937 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL12366179 0.88 P2RX7 (0.46) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12366170 0.81 CNR1 (0.46) SMN1; SMN2LMNAALDH1A1RAB9AMAPT
SCHEMBL12366137 0.81 P2RX7 (0.50) MEN1KMT2ARAB9ANPC1
SCHEMBL12366090 0.81 ALDH1A1 (0.57) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12366181 0.81 KMT2A (0.54) LMNAMEN1KMT2ARIPK1ALDH1A1
SCHEMBL12366141 0.81 NPC1 (0.62) HPGDSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL12366112 0.80 EPHX2 (0.51) MEN1KMT2A
SCHEMBL12366166 0.79 P2RX7 (0.49)
SCHEMBL12366210 0.79 ERCC1 (0.40) HPGDSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12366196 0.78 KMT2A (0.58) HPGDSMN1; SMN2LMNAMEN1KMT2A

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-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed