SCHEMBL20385111

SCHEMBL20385111

COc1ccccc1N/C(=N\NN)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ METAP2 P50579 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 4/20 0.42

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
SCHEMBL20385088 0.83 HTT (0.46) KMT2ASMN1; SMN2TSHRRAB9AALDH1A1
SCHEMBL20385112 0.80 GAA (0.46) KMT2AMETAP2SMN1; SMN2TSHRHSD17B10
SCHEMBL20385093 0.80 HDAC1 (0.41) KMT2AHSD17B10RAB9AGRIN2DGRIN3B
SCHEMBL20385132 0.80 HPGD (0.48) KMT2AMETAP2SMN1; SMN2TSHRHSD17B10
SCHEMBL20385119 0.79 CYP1A2 (0.47) KMT2ARAB9AGRIN2DGRIN3BGRIN1
SCHEMBL20385092 0.79 HTT (0.41) KMT2ASMN1; SMN2RAB9AGRIN2DGRIN3B
SCHEMBL20385124 0.77 GRIN2D (0.53) KMT2AMETAP2SMN1; SMN2TSHRHSD17B10
SCHEMBL30758630 0.77 KMT2A (0.72) KMT2AMETAP2SMN1; SMN2TSHRHSD17B10
SCHEMBL2949130 0.77 KMT2A (0.72) KMT2AMETAP2SMN1; SMN2TSHRHSD17B10
SCHEMBL20385139 0.75 HDAC1 (0.42) KMT2AMETAP2TSHRHSD17B10GRIN2D

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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