SCHEMBL21885683

SCHEMBL21885683

N=C(N)NC(=O)c1c(O)ccc(CC(F)(F)F)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.35
F10 P00742 2/20 0.35
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
CSNK1E P49674 1/20 0.31
HDAC1 Q13547 1/20 0.30
CNR2 P34972 1/20 0.30
TACR1 P25103 1/20 0.30
NPC1 O15118 1/20 0.30
CRHBP P24387 1/20 0.30
RAB9A P51151 1/20 0.30
CRHR2 Q13324 1/20 0.30
P2RX1 P51575 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
SCHEMBL21884608 0.83 FABP4 (0.40) PPIAF10KLK1KLK5PLAU
SCHEMBL21884595 0.77 FABP4 (0.39) PPIAF10PLAUPLAT
SCHEMBL21884597 0.74 ALDH1A1 (0.37) PPIAF10PLAUPLATCNR2
SCHEMBL21884672 0.68 AR (0.41) PPIANPC1CRHBPRAB9ACRHR2
SCHEMBL21884590 0.67 AR (0.46) PPIAPLAUPLATCNR2P2RX1
SCHEMBL7110738 0.67 ALOX15 (0.48)
SCHEMBL21884635 0.66 AR (0.44) PPIANPC1RAB9A
SCHEMBL21884520 0.65 AR (0.35) CNR2
Hydrochloric Acid SCHEMBL7110823 0.65 ALOX15 (0.46)
SCHEMBL21884599 0.64 HSD17B1 (0.35) F10PLAUPLATP2RX1

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-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed