SCHEMBL28277477

SCHEMBL28277477

CCCCc1cccc(C(=N)N)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
LOXL2 Q9Y4K0 1/20 0.61
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
F10 P00742 3/20 0.51
C1S P09871 1/20 0.50
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
F2 P00734 4/20 0.48
PLAU P00749 1/20 0.47
NOS1 P29475 1/20 0.47

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
SCHEMBL28278911 0.89 PRSS1 (0.65) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL24358735 0.87 PRSS1 (0.67) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL14629787 0.84 PRSS1 (0.68) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL24358796 0.83 PRSS1 (0.71) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL7897894 0.83 LPL (0.46) SPHK2SPHK1GRIN2DGRIN3BGRIN1
SCHEMBL5194309 0.83 SPHK2 (0.52) SPHK2SPHK1
SCHEMBL7401747 0.83 PRSS1 (0.61) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL6954993 0.82 SPHK2 (0.49) PRSS1PRSS2PRSS3LOXL2SPHK2
SCHEMBL1696803 0.82 PRSS1 (0.69) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL16951379 0.80 LPL (0.50) SPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109468659-A The method of room temperature synthesizing benzimidazole under the conditions of electrocatalytic method water phase 云南师范大学 2019-03-15 CN disclosed
CN-109456273-A The method of benzenecarboximidamide class compound synthesis benzimidazole compound is used in microwave method water phase 云南师范大学 2019-03-12 CN disclosed