SCHEMBL11746386

SCHEMBL11746386

COc1ccccc1N=Nc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ TDP1 Q9NUW8 6/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL11744476 0.83 TDP1 (0.64) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL4283513 0.81 KMT2A (0.54) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL4283506 0.81 KMT2A (0.54) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL11130914 0.81 KMT2A (0.78) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL11287057 0.81 KMT2A (0.78) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL11446063 0.80 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL11446062 0.80 TDP1 (0.46) MEN1KMT2ATDP1ALDH1A1L3MBTL1
SCHEMBL11465026 0.80 MAPT (0.55) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL11465027 0.80 MAPT (0.55) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL1444740 0.79 ALDH1A1 (0.66) MEN1KMT2ATDP1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4062836-A YELLOW CIBA-GEIGY CORPORATION (US) 1977-12-13 — — US disclosed
US-3943120-A WATER INSOLUBLE CIBA-GEIGY AG (CH) 1976-03-09 — — US disclosed
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