SCHEMBL28540825

SCHEMBL28540825

Ic1ccc(-n2cc3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 6/20 0.41
MPO P05164 1/20 0.41
ADORA2A P29274 5/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL7848179 0.90 ESR2 (0.55) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL2979520 0.84 ESR2 (0.62) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL14036890 0.81 ESR2 (0.47) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL1712561 0.81 ADORA3 (0.54) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL1872721 0.81 ESR2 (0.65) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL2264916 0.81 ESR2 (0.47) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL3853197 0.81 ESR2 (0.47) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL14005778 0.81 ADORA3 (0.54) ESR2MEN1NPC1RAB9AKMT2A
Water SCHEMBL4710592 0.80 ADORA3 (0.52) ESR2MEN1NPC1RAB9AKMT2A
SCHEMBL29941110 0.79 ESR2 (0.49) ESR2MEN1NPC1RAB9AKMT2A

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-112574112-B Method for synthesizing N-substituted 2H-indazole compound through oxidation 浙江工业大学 2022-03-18 CN disclosed
CN-112574112-A Method for synthesizing N-substituted 2H-indazole compound through green oxidation 浙江工业大学 2021-03-30 CN disclosed