SCHEMBL28183997

SCHEMBL28183997

Cc1nccn1-n1ccnc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2A6 P11509 1/20 0.40
LPO P22079 1/20 0.36
TSHR P16473 1/20 0.35
FDPS P14324 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALPL P05186 2/20 0.34
ALPG P10696 2/20 0.34
ALPI P09923 1/20 0.34
PLAA Q9Y263 1/20 0.34

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
SCHEMBL28853334 0.85 ALDH1A1 (0.35) ALDH1A1POLBKMT2ACYP3A4CYP2E1
SCHEMBL28576509 0.82 ALDH1A1 (0.41) ALDH1A1POLBKMT2ACYP3A4TSHR
SCHEMBL27895939 0.77 CYP2E1 (0.35) ALDH1A1POLBKMT2ACYP3A4CYP2E1
Methyl Alcohol SCHEMBL28649922 0.75
SCHEMBL7475467 0.73 ALDH1A1 (0.39) ALDH1A1POLBKMT2ALMNA
SCHEMBL11334103 0.73
SCHEMBL16694847 0.73
SCHEMBL15149 0.73
SCHEMBL20072002 0.72 ALDH1A1 (0.31) ALDH1A1POLBKMT2A
SCHEMBL14032737 0.71

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118306985-A Preparation method and application of nitrogen-doped graphene aerogel material 内蒙古工业大学 2024-07-09 CN disclosed
CN-108033492-B The CoWO of amorphous4The preparation method of cage-shaped nano material and its application in electro-catalysis 扬州大学 2019-09-13 CN disclosed
CN-108126703-A Silk ball shape CuZnOXThe preparation method of nano material and its application in electro-catalysis 扬州大学 2018-06-08 CN disclosed
CN-108033492-A The CoWO of amorphous4The preparation method of cage-shaped nano material and its application in electro-catalysis 扬州大学 2018-05-15 CN disclosed
CN-107235909-A A kind of preparation method for the cobalt-based material for accumulating nanometer chip architecture 扬州大学 2017-10-10 CN disclosed