SCHEMBL8434358

SCHEMBL8434358

Cc1c(CCN(C)Cc2ncc([N+](=O)[O-])cn2)c2cc(NC(N)=S)ccc2n1-c1ccccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
PTGES O14684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 1/20 0.30
PLA2G2A P14555 1/20 0.30

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
SCHEMBL8431918 0.94 MAPT (0.34) MAPTPTGESMEN1KMT2AL3MBTL1
SCHEMBL7143041 0.68 POLB (0.34) MAPTMEN1KMT2AALDH1A1
SCHEMBL8547960 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8551905 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8692650 0.68
SCHEMBL8692041 0.67
SCHEMBL8548197 0.66 HTT (0.32) L3MBTL1ALDH1A1
SCHEMBL8548284 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7140896 0.66 POLB (0.34) MAPTMEN1KMT2AALDH1A1
SCHEMBL1383341 0.61 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1TRPV1

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
US-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed