SCHEMBL9461541

SCHEMBL9461541

C=CCNC(=O)NNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ ALDH1A1 P00352 8/20 0.52
▸ GAA P10253 6/20 0.52
▸ POLB P06746 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HTT P42858 3/20 0.49
▸ LMNA P02545 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MYOC Q99972 1/20 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
SCHEMBL9567011 0.87 MEN1 (0.67) MAPTTGM2KMT2AMEN1ALDH1A1
SCHEMBL9461875 0.84 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL11768574 0.80 MEN1 (0.58) MAPTTGM2KMT2AMEN1ALDH1A1
SCHEMBL11772507 0.80 KMT2A (0.60) MAPTTGM2KMT2AMEN1POLB
SCHEMBL11839996 0.80 MEN1 (0.72) MAPTTGM2KMT2AMEN1ALDH1A1
SCHEMBL9461985 0.79 NPSR1 (0.56) MAPTTGM2ALDH1A1GAAPOLB
SCHEMBL9461873 0.79 PTGS2 (0.49) ALDH1A1GAAPOLBTDP1HTT
SCHEMBL9461416 0.79 SMN1; SMN2 (0.51) MAPTTGM2KMT2AMEN1ALDH1A1
SCHEMBL9461431 0.79 TGM2 (0.49) MAPTTGM2KMT2AMEN1ALDH1A1
SCHEMBL9461426 0.79 POLB (0.49) MAPTTGM2KMT2AALDH1A1GAA

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
EP-0542084-A1 Use of inhibitors of color generation in chromogenic assays Bayer Corporation (US) 1993-05-19 — — EP disclosed
US-5212066-A Semicarbazide, thiosemicarbazide and carbazide as inhibiitors of color generation MILES INC. (US) 1993-05-18 — — US disclosed
Send feedback