SCHEMBL8561758

SCHEMBL8561758

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 17/20 1.00
JUN P05412 11/20 1.00
NFKB2 Q00653 11/20 1.00
RELA Q04206 11/20 1.00
ATF1 P18846 7/20 0.79
XPO1 O14980 5/20 0.79

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
SCHEMBL458841 0.88 NFKB1 (1.00) NFKB1JUNNFKB2RELAATF1
SCHEMBL8544541 0.81 JUN (0.67) NFKB1JUNNFKB2RELAATF1
SCHEMBL20558428 0.79 NFKB1 (0.65) NFKB1JUNNFKB2RELAATF1
SCHEMBL30421262 0.76 NFKB1 (0.61) NFKB1JUNNFKB2RELAATF1
SCHEMBL28557381 0.76 NFKB1 (0.61) NFKB1JUNNFKB2RELAATF1
SCHEMBL1864557 0.76 NFKB1 (0.78) NFKB1JUNNFKB2RELAATF1
SCHEMBL330789 0.76 P2RX1 (0.64) NFKB1JUNNFKB2RELAATF1
SCHEMBL13919647 0.76 XPO1 (0.68) NFKB1JUNNFKB2RELAATF1
SCHEMBL8566786 0.75 JUN (0.64) NFKB1JUNNFKB2RELAATF1
SCHEMBL22145723 0.74 BRAF (0.67)

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
US-5811428-A ADMINISTERING FOR THE TREATMENT AND PREVENTION OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-22 US disclosed