SCHEMBL11068477

SCHEMBL11068477

CSc1ncn(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MAPT P10636 8/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TNFSF10 P50591 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
POLB P06746 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40

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
SCHEMBL718100 0.80 HTT (0.59) HTTMAPTMEN1KMT2ANPC1
SCHEMBL3758351 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL28569244 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL3751013 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL27293604 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL3750773 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL3745865 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL3757135 0.76 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL16073060 0.72 HTT (0.51) HTTMAPTMEN1KMT2ANPC1
SCHEMBL16089344 0.72 HTT (0.51) HTTMAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4490530-A ANTIFUNGAL, ANTIBACTERIAL JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-25 US disclosed
EP-0006711-B1 HETEROCYCLIC DERIVATIVES OF (4-PHENYLPIPERAZIN-1-YL-ARYLOXYMETHYL-1,3-DIOXOLAN-2-YL)-METHYL-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-10-26 EP disclosed
US-4368200-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-11 US disclosed
US-4267179-A AS FUNGICIDES AND BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1981-05-12 US disclosed
EP-0006711-A1 Heterocyclic derivatives of (4-phenylpiperazin-1-yl-aryloxymethyl-1,3-dioxolan-2-yl)-methyl-1H-imidazoles and 1H-1,2,4-triazoles, processes for preparing them and compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed