SCHEMBL8356136

SCHEMBL8356136

CCOc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
TDP1 Q9NUW8 4/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL11553810 0.93 MAPT (0.57) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL11484097 0.93 MAPT (0.61) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL6673597 0.91 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9651161 0.91 MAPT (0.59) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL8438191 0.87 ALDH1A1 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5562501 0.87 MAPT (0.59) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL11013467 0.87 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16543579 0.87 MAPT (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16431683 0.87 MAPT (0.55) MAPTLMNAALDH1A1TSHRMEN1
SCHEMBL1538970 0.87 MAPT (0.55) MAPTLMNAALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013116823-A1 BENZIMIDAZOLES AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-08-08 WO disclosed
WO-2013116823-A1 BENZIMIDAZOLES AND USES THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-08-08 WO disclosed
US-5910578-A NOVEL AZO DYES USEFUL FOR DYEING OR PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-06-08 US disclosed