SCHEMBL11376576

SCHEMBL11376576

Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ CYP1A2 P05177 4/20 0.58
▸ CYP2C19 P33261 4/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ MAPT P10636 8/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ KCNMA1 Q12791 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 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
SCHEMBL11371011 0.83 L3MBTL1 (0.63) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11380868 0.83 AKR1C3 (0.58) MEN1KMT2ACYP1A2TDP1MAPT
SCHEMBL11372349 0.80 MAPK1 (0.56) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL4938163 0.78 L3MBTL1 (0.68) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL11385075 0.77 MEN1 (0.52) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11387513 0.77 TDP1 (0.47) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11335468 0.77 L3MBTL1 (0.56) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11371233 0.76 TDP1 (0.55) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11370842 0.76 CRHBP (0.49) MEN1KMT2ACYP1A2CYP2C19TDP1
SCHEMBL11373958 0.76 MEN1 (0.51) MEN1KMT2ACYP1A2CYP2C19TDP1

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-4293566-A FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 — — US claimed
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