SCHEMBL19973994

SCHEMBL19973994

NC(=O)c1ccc(F)c2c1SCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
HTR1A P08908 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NOTUM Q6P988 1/20 0.31
PARP1 P09874 2/20 0.31
MAP2K1 Q02750 2/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
PRKAA1 Q13131 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
VHL P40337 1/20 0.30
ELOC Q15369 1/20 0.30
ELOB Q15370 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL21189396 0.85 ALDH1A1 (0.36) NOTUMVHLELOCELOBCES2
SCHEMBL14053008 0.80 VHL (0.37) NOTUMVHLELOCELOB
SCHEMBL28195045 0.67 PARP1 (0.50) PARP1
SCHEMBL28914080 0.67 ALDH1A1 (0.31) CES2
SCHEMBL7840446 0.66 BRD4 (0.34) VHLELOCELOB
SCHEMBL20511956 0.65 HTR1A (0.47) DGAT1HTR1ANPC1RAB9APARP1
SCHEMBL8136278 0.65 KDM4E (0.34) NOTUM
SCHEMBL10050691 0.63 AURKA (0.37) MAP2K1DYRK1AVHLELOCELOB
SCHEMBL9404990 0.63 THRB (0.39) CSNK1A1DYRK1AVHLELOCELOB
SCHEMBL21465508 0.62 CYP1A2 (0.35) NOTUMPARP1MAP2K1MAP2K2CES2

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-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO disclosed