SCHEMBL16213446

SCHEMBL16213446

NC(=O)Nc1ccccc1C#Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.65
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
HPGD P15428 2/20 0.59
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP2D6 P10635 1/20 0.59
MAPK1 P28482 1/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
SLC16A3 O15427 4/20 0.48

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
SCHEMBL17787334 0.88 ALDH1A1 (0.52) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18983569 0.87 KDM4E (0.67) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL17651661 0.84 IKBKB (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2231380 0.84 ALDH1A1 (0.63) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL16210927 0.81 MEN1 (0.68) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL18253194 0.81 ALDH1A1 (0.60) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL28877341 0.80 ALDH1A1 (0.58) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL28528551 0.80 ALDH1A1 (0.58) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL17322822 0.78 KDM4E (0.49) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL17651636 0.77 PTPN11 (0.46) KDM4EALDH1A1LMNAMEN1KMT2A

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-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 WO disclosed