SCHEMBL20385129

SCHEMBL20385129

COc1ccccc1N/C(=N\N)c1ccccc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL20385125 0.90 HPGD (0.50) HPGDALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL20385116 0.89 GRIN2D (0.47) HPGDALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL20385132 0.88 HPGD (0.48) HPGDALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL20385152 0.85 HTT (0.47) ALDH1A1MAPTTSHRSMN1; SMN2RAB9A
SCHEMBL20385140 0.83 HDAC1 (0.43) HPGDALDH1A1MAPTTSHRHSD17B10
SCHEMBL20385166 0.81 HPGD (0.44) HPGDALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL20385113 0.80 TSHR (0.51) HPGDALDH1A1MAPTTSHRHSD17B10
SCHEMBL20385162 0.80 KCNN4 (0.40) HPGDALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL20385173 0.80 NPC1 (0.47) HPGDALDH1A1TSHRSMN1; SMN2RAB9A
SCHEMBL20385146 0.79 KMT2A (0.40) HPGDALDH1A1MAPTSMN1; SMN2KMT2A

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