SCHEMBL28378372

SCHEMBL28378372

NC(c1ccc2ccccc2c1)C(c1ccccn1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
PPP1CA P62136 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
IDH1 O75874 4/20 0.47
KCNA5 P22460 3/20 0.43
KCNE1 P15382 1/20 0.43
BRAF P15056 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 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 0.84 KCNA5 (0.50) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL28373983 0.82 IDH1 (0.46) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL28375669 0.82 IDH1 (0.49) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL28377475 0.82 BRAF (0.50) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL28373770 0.82 IDH1 (0.44) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL30275033 0.69 L3MBTL1 (0.47) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL11642154 0.69 L3MBTL1 (0.47) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL16464338 0.68 L3MBTL1 (0.49) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL1242030 0.68 KCNA5 (0.49) LMNATP53ALOX15ALOX12PPP1CA
SCHEMBL16461215 0.68 DPP4 (0.56) LMNATP53ALOX15ALOX12PPP1CA

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