SCHEMBL8360477

SCHEMBL8360477

CCCOc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.63
LMNA P02545 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RECQL P46063 2/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8358231 0.92 MAPT (0.57) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL8358085 0.89 MAPT (0.51) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL26930461 0.88 MAPT (0.57) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL26930698 0.88 MAPT (0.61) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL8356136 0.86 MAPT (0.61) MAPTLMNAALDH1A1MEN1POLB
SCHEMBL10940683 0.84 MAPT (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL12047595 0.83 PRSS1 (0.46) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL11581876 0.81 MAPT (0.49) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9793690 0.81 MAPT (0.57) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL8424596 0.81 MAPT (0.60) MAPTLMNANPC1RAB9ASMN1; SMN2

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-5910578-A NOVEL AZO DYES USEFUL FOR DYEING OR PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-06-08 US disclosed