SCHEMBL28194693

SCHEMBL28194693

Cc1ccc(-n2cc3cc([N+](=O)[O-])ccc3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.80
MEN1 O00255 6/20 0.80
KMT2A Q03164 6/20 0.80
NPC1 O15118 5/20 0.80
RAB9A P51151 5/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
LMNA P02545 4/20 0.80
NFKB1 P19838 2/20 0.80
NFKB2 Q00653 2/20 0.80
RELA Q04206 2/20 0.80
CASP3 P42574 2/20 0.80
SENP7 Q9BQF6 2/20 0.80
SENP6 Q9GZR1 2/20 0.80
SENP8 Q96LD8 1/20 0.80
HTT P42858 3/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
NPBWR1 P48145 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL17199295 0.86 MEN1 (0.60) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13492787 0.86 MAPT (0.79) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL17199300 0.83 MEN1 (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1699257 0.82 MAPT (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1663375 0.81 MAPT (0.56) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL28698076 0.76 KMT2A (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11009835 0.76 MEN1 (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL654958 0.76 MAPT (0.77) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11010720 0.76 MEN1 (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27627290 0.75 PPARG (0.63) MAPTMEN1KMT2ANPC1RAB9A

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-107602472-A A kind of preparation method of 2 substitution 2H indazole compounds 上海应用技术大学 2018-01-19 CN disclosed