SCHEMBL11214879

SCHEMBL11214879

O=C(O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CES1 P23141 2/20 0.52
ALDH1A1 P00352 4/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 1/20 0.50
SRD5A2 P31213 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL19667923 0.94 KMT2A (0.60) TDP1MEN1KMT2ACNR1CNR2
SCHEMBL10904307 0.87 ACP3 (0.52) MEN1KMT2ACNR1CNR2CES1
SCHEMBL2598285 0.83 TDP1 (0.55) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL10170602 0.82 MEN1 (0.62) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL3749117 0.82 MEN1 (0.62) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL5156314 0.82 MEN1 (0.62) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL4984551 0.80 TDP1 (0.52) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL2036422 0.80 TDP1 (0.52) TDP1MEN1KMT2ACES1ALDH1A1
SCHEMBL9297237 0.80 TDP1 (0.52) TDP1MEN1KMT2ACNR1CNR2
SCHEMBL262538 0.80 AKR1C3 (0.59) TDP1MEN1KMT2AALDH1A1MAPT

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-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US claimed
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed