SCHEMBL27851691

SCHEMBL27851691

Cn1cc(-c2cc(C(=O)NN)n(Cc3ccccc3)n2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL27831595 0.90 CA12 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL27851745 0.88 CA12 (0.55) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL27831594 0.84 CA12 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL27833748 0.82 CA12 (0.63) CA12CA1CA2CA9
SCHEMBL27706437 0.79 SMN1; SMN2 (0.63) MAPTPOLBSMN1; SMN2ALDH1A1SMYD3
SCHEMBL27833746 0.78 SIRT2 (0.46) MAPTPOLBSMN1; SMN2ALDH1A1SMYD3
SCHEMBL27811136 0.77 CA12 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL27831428 0.77 CA12 (0.61) CA12CA1CA2CA9LMNA
SCHEMBL27811239 0.77 CA12 (0.72) CA12CA1CA2CA9POLB
SCHEMBL28787743 0.76 CA12 (0.60) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321074-B Indole ring-substituted pyrazole hydrazide derivative and preparation method and application thereof SHANDONG INST LIGHT INDUSTRY 2013-04-10 — — CN claimed
CN-102321074-A Indole ring-substituted pyrazole hydrazide derivative and preparation method and application thereof SHANDONG INST LIGHT INDUSTRY 2012-01-18 — — CN claimed
CN-102321074-B Indole ring-substituted pyrazole hydrazide derivative and preparation method and application thereof SHANDONG INST LIGHT INDUSTRY 2013-04-10 — — CN disclosed
CN-102321074-A Indole ring-substituted pyrazole hydrazide derivative and preparation method and application thereof SHANDONG INST LIGHT INDUSTRY 2012-01-18 — — CN disclosed
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