SCHEMBL9302227

SCHEMBL9302227

N=C(N)Nc1ccccc1C(=O)O.N=C(N)c1ccccc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MAPT P10636 1/20 0.49
CTSK P43235 1/20 0.49
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
MASP2 O00187 1/20 0.45
DHODH Q02127 1/20 0.45
CFD P00746 1/20 0.44
LMNA P02545 2/20 0.43
AURKA O14965 1/20 0.43
PTGER4 P35408 1/20 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
SCHEMBL233797 0.90 KMT2A (0.57) KMT2AMAPTCTSKKDM4EHPGD
Benzene SCHEMBL27690342 0.90 KMT2A (0.57) KMT2AMAPTCTSKKDM4EHPGD
Hydrochloric Acid SCHEMBL6013658 0.89 KMT2A (0.55) KMT2AMAPTCTSKKDM4EHPGD
SCHEMBL9304069 0.85 DHODH (0.50) KMT2AMAPTCTSKPDCD1CD274
SCHEMBL30139987 0.85 KDM4E (0.60) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL45762 0.85 KDM4E (0.60) KMT2AMAPTKDM4EHPGDALDH1A1
SCHEMBL7902232 0.83 KMT2A (0.50) KMT2AMAPTCTSKKDM4EALDH1A1
Sulfuric Acid SCHEMBL5306744 0.83 KMT2A (0.50) KMT2AMAPTCTSKKDM4EHPGD
SCHEMBL8104027 0.83 KMT2A (0.50) KMT2AMAPTCTSKKDM4EALDH1A1
SCHEMBL9303015 0.81 KMT2A (0.58) KMT2AMAPTCTSKKDM4EALDH1A1

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
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed