SCHEMBL14760931

SCHEMBL14760931

O=[C]C1=CC=NCC1=Cc1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.40
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
NAT1 P18440 2/20 0.35
CA2 P00918 2/20 0.33
NFKB1 P19838 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
JUN P05412 1/20 0.33
NFE2L2 Q16236 1/20 0.33
PLK4 O00444 1/20 0.32
PLK1 P53350 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14760982 0.75 MIF (0.41) MIFTRIM24TRIM33NAT1CA2
SCHEMBL17691388 0.62 MIF (0.64) MIFNFKB1MEN1ALDH1A1KMT2A
SCHEMBL3581744 0.62 MIF (0.64) MIFNFKB1MEN1ALDH1A1KMT2A
SCHEMBL17691411 0.62 IKBKB (0.64) MIFTRIM24TRIM33NAT1PLK4
SCHEMBL3581740 0.62 MIF (0.64) MIFNFKB1MEN1ALDH1A1KMT2A
SCHEMBL7132282 0.61 IKBKB (0.65) MIFTRIM24TRIM33NAT1L3MBTL1
SCHEMBL1524256 0.61 ALDH1A1 (0.58) MIFTRIM24TRIM33NAT1NFKB1
SCHEMBL5585089 0.61 ALDH1A1 (0.61) MIFTRIM24TRIM33NAT1ALDH1A1
SCHEMBL17691431 0.61 IKBKB (0.65) MIFTRIM24TRIM33NAT1L3MBTL1
SCHEMBL14571661 0.61 ALDH1A1 (0.61) MIFTRIM24TRIM33NAT1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504641-B2 Therapy to reduce extravasation damage PTLNV, LLC, SERIES 6 2016-11-29 US disclosed
US-20130064865-A1 THERAPY TO REDUCE EXTRAVASATION DAMAGE PTLNV, LLC, SERIES 6 2013-03-14 US disclosed