SCHEMBL5827232

SCHEMBL5827232

NC(=O)c1cc(NCCO)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
PKM P14618 3/20 0.47
LMNA P02545 1/20 0.47
PRSS1 P07477 4/20 0.44
RAB9A P51151 2/20 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
SCHEMBL7370622 0.80 MAPT (0.56) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL7215729 0.78 MAPT (0.53) MAPTALDH1A1KMT2ACYP3A4BLM
SCHEMBL112074 0.78 KMT2A (0.70) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL7374301 0.78 MAPT (0.53) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL7374361 0.78 MAPT (0.59) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL9381602 0.78 KMT2A (0.63) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL11096925 0.75 MAPT (0.60) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL7373815 0.75 CDK5 (0.53) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL7369837 0.75 MAPT (0.62) MAPTALDH1A1KMT2ACYP3A4LMNA
SCHEMBL7378010 0.75 MITF (0.49) MAPTALDH1A1TDP1CYP3A4BLM

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
EP-0638123-B1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER REC TECH LTD (GB) 2006-12-27 EP disclosed
EP-0638123-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-15 EP disclosed
WO-1993008288-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-04-29 WO disclosed