SCHEMBL20385139

SCHEMBL20385139

COc1ccccc1-c1ccccc1/C(=N/NN)Nc1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSD P07339 1/20 0.38

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
SCHEMBL20385147 0.89 HPGD (0.48) ALDH1A1TDP1TSHRKMT2AGAA
SCHEMBL20385140 0.87 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL20385171 0.86 CLCN2 (0.43) ALDH1A1CTSDCLCN2TSHRKMT2A
SCHEMBL20385132 0.84 HPGD (0.48) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL20385165 0.83 HPGD (0.42) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL20385116 0.78 GRIN2D (0.47) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL20385125 0.76 HPGD (0.50) ALDH1A1TDP1TSHRKMT2AGAA
SCHEMBL20385111 0.75 KMT2A (0.48) ALDH1A1TDP1TSHRGRIN2DGRIN3B
SCHEMBL20385150 0.75 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKMT2AGAA
SCHEMBL20385159 0.74 KCNN4 (0.45) ALDH1A1KMT2AGAAMAPTKDM4E

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-2867215-B1 TETRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2018-07-18 — — EP disclosed
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