SCHEMBL31469871

SCHEMBL31469871

O=C(Cl)c1cnc(Cl)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 13/20 0.46
JUN P05412 6/20 0.46
NFKB2 Q00653 6/20 0.46
RELA Q04206 6/20 0.46
ATF1 P18846 8/20 0.37
XPO1 O14980 5/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL429969 1.00 NFKB1 (0.46) NFKB1JUNNFKB2RELAATF1
SCHEMBL721758 0.83 KEAP1 (0.47) NFKB1JUNNFKB2RELAATF1
SCHEMBL29724129 0.81 NFKB1 (0.45) NFKB1JUNNFKB2RELAATF1
SCHEMBL1320432 0.81 NFKB1 (0.49) NFKB1JUNNFKB2RELAATF1
SCHEMBL8505560 0.81 NFKB1 (0.45) NFKB1JUNNFKB2RELAATF1
Hydrochloric Acid SCHEMBL7754141 0.81 KEAP1 (0.46) NFKB1JUNNFKB2RELAATF1
SCHEMBL914000 0.81 NFKB1 (0.45) NFKB1JUNNFKB2RELAATF1
Ethylene SCHEMBL29153723 0.79 NFKB1 (0.44) NFKB1JUNNFKB2RELAATF1
SCHEMBL10585289 0.79 ALDH1A1 (0.38) NFKB1JUNNFKB2RELAKEAP1
SCHEMBL3056707 0.79 NFKB1 (0.55) NFKB1JUNNFKB2RELAATF1

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-2025026556-A1 CROSSLINKERS PREFERE RESINS HOLDING GMBH (DE) 2025-02-06 WO disclosed