SCHEMBL20385166

SCHEMBL20385166

COc1ccccc1-c1ccccc1/C(=N/N)Nc1ccccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 4/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 1/20 0.41
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
KCNN4 O15554 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 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
SCHEMBL20385116 0.89 GRIN2D (0.47) HPGDKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20385165 0.88 HPGD (0.42) HPGDCASP1KMT2AHTTSMN1; SMN2
SCHEMBL20385094 0.84 HDAC1 (0.46) KMT2AHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL20385125 0.84 HPGD (0.50) HPGDKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20385140 0.83 HDAC1 (0.43) HPGDKMT2AHTTALDH1A1GAA
SCHEMBL20385113 0.82 TSHR (0.51) HPGDKMT2AALDH1A1GAAMAPT
SCHEMBL20385129 0.81 HPGD (0.50) HPGDKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20385173 0.81 NPC1 (0.47) HPGDKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20385164 0.80 HTT (0.48) HPGDCASP1KMT2AHTTSMN1; SMN2
SCHEMBL20385146 0.76 KMT2A (0.40) HPGDKMT2AHTTSMN1; SMN2ALDH1A1

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