SCHEMBL28375669

SCHEMBL28375669

Cc1ccc(C(N)C(c2ccccn2)N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.49
KCNA5 P22460 3/20 0.46
KCNE1 P15382 1/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
PPP1CA P62136 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL28374591 0.89 KCNA5 (0.50) IDH1KCNA5KCNE1LMNATP53
SCHEMBL28373983 0.87 IDH1 (0.46) IDH1KCNA5KCNE1LMNATP53
SCHEMBL28377475 0.86 BRAF (0.50) IDH1KCNA5KCNE1LMNATP53
SCHEMBL28373770 0.84 IDH1 (0.44) IDH1KCNA5KCNE1LMNATP53
SCHEMBL28378372 0.82 LMNA (0.50) IDH1KCNA5KCNE1LMNATP53
SCHEMBL7854201 0.71 SMN1; SMN2 (0.45) LMNATP53POLBSMN1; SMN2ALDH1A1
SCHEMBL16464338 0.70 L3MBTL1 (0.49) IDH1KCNA5KCNE1LMNATP53
SCHEMBL1242030 0.70 KCNA5 (0.49) IDH1KCNA5KCNE1LMNATP53
SCHEMBL1991270 0.70 POLB (0.51) IDH1KCNA5KCNE1LMNATP53
SCHEMBL16461215 0.70 DPP4 (0.56) IDH1KCNA5KCNE1LMNATP53

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
CN-110804013-B Synthesis method of ortho diamine compound 南京工业大学 2024-04-05 CN disclosed
CN-110804013-A Synthesis method of ortho-diamine compound 南京工业大学 2020-02-18 CN disclosed