SCHEMBL10811643

SCHEMBL10811643

CCCCCC(Nc1nc(Cl)nc(NC(CCCCC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
LMNA P02545 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
SCHEMBL10934656 0.99 KMT2A (0.36) KMT2AGAATDP1IDH1IDH2
SCHEMBL3145067 0.99 KMT2A (0.36) KMT2AGAATDP1IDH1IDH2
SCHEMBL10912239 0.97 KMT2A (0.32) KMT2AGAATDP1
SCHEMBL11031866 0.96 KMT2A (0.34) KMT2AGAATDP1
SCHEMBL10910238 0.96 KMT2A (0.34) KMT2AGAATDP1
SCHEMBL711948 0.91 GAA (0.37) KMT2AGAATDP1IDH1IDH2
SCHEMBL692464 0.88 GAA (0.33) GAATDP1IDH1IDH2LMNA
SCHEMBL8838277 0.86
SCHEMBL7481323 0.84 IDH1 (0.34) GAAIDH1IDH2LMNA
SCHEMBL3145310 0.83 KMT2A (0.36) KMT2AGAATDP1IDH1IDH2

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
EP-0075849-B1 TRIAZINYLLACTAMES, PROCESS FOR THEIR PREPARATION, THEIR USE AS STABILISATORS FOR SYNTHETIC ORGANIC POLYMERS AND POLYMERS STABILISED BY THEM HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed