SCHEMBL16248176

SCHEMBL16248176

CCc1nc(C(F)(F)F)ncc1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JUN P05412 4/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
FOS P01100 3/20 0.34
PDE4B Q07343 1/20 0.32
TKT P29401 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
HEXA P06865 1/20 0.30
HEXB P07686 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
SCHEMBL10345073 0.83 FOS (0.30) JUNNFKB1NFKB2RELAFOS
SCHEMBL31416631 0.78 HEXA (0.36) JUNNFKB1NFKB2RELAFOS
SCHEMBL31416682 0.78 JUN (0.32) JUNNFKB1NFKB2RELAFOS
SCHEMBL14533192 0.76 TRPV3 (0.33) JUNNFKB1NFKB2RELAFOS
SCHEMBL14809757 0.76 GABRP (0.45) JUNNFKB1NFKB2RELAFOS
SCHEMBL17703517 0.75 ALDH1A1 (0.34) JUNNFKB1NFKB2RELAFOS
SCHEMBL2116606 0.74 KDM4E (0.38)
SCHEMBL17472689 0.73 S100A9 (0.42) NFKB1
Formamide SCHEMBL28472309 0.73 TKT (0.34) JUNNFKB1NFKB2RELAFOS
SCHEMBL16741140 0.72 JUN (0.41) JUNNFKB1NFKB2RELA

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
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 WO disclosed