SCHEMBL28257867

SCHEMBL28257867

c1ccc2sc(N=Nc3cc[nH]n3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MCL1 Q07820 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ MEN1 O00255 3/20 0.43
▸ PTPN11 Q06124 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PSD A5PKW4 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 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
SCHEMBL31314986 0.82 INSR (0.65) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL1506734 0.82 INSR (0.65) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL28257868 0.76 KDM4E (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A
Naphthalene SCHEMBL11589769 0.74 CYP2A6 (0.36) MAPTNPC1RAB9AMAPK1
SCHEMBL1306156 0.74 INSR (0.69) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL1306153 0.74 INSR (0.69) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL6655466 0.72 HPGD (0.54) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL5206443 0.72 — —
SCHEMBL28234601 0.72 INSR (0.54) INSRMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL6998648 0.70 INSR (0.49) INSRMAPTKMT2ASMN1; SMN2NPC1

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
CN-108864152-A A kind of preparation method and application of benzo double thiazole class azo-compound 山西大同大学 2018-11-23 — — CN disclosed
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