SCHEMBL9523638

SCHEMBL9523638

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALPG P10696 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
PSMD14 O00487 1/20 0.55
LMNA P02545 1/20 0.55
TLR9 Q9NR96 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.51
FLT3 P36888 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL12201092 0.89 POLB (0.53) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL13020889 0.86 ALDH1A1 (0.60) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL9523960 0.85 MAPT (0.61) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL28107976 0.82 MAPT (0.77) MAPTCASP3SENP7TDP1ALPG
SCHEMBL8487571 0.82 ACHE (0.48) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL8707905 0.81 NPC1 (0.68) MAPTCASP3SENP7KMT2AMEN1
SCHEMBL120371 0.78 HTR2A (0.49) MAPTCASP3SENP7TDP1KMT2A
SCHEMBL7347858 0.74 FLT3 (0.69) MAPTCASP3SENP7TDP1ALPG
SCHEMBL25054008 0.73 KMT2A (0.64) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL527544 0.73 KMT2A (0.71) MAPTTDP1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0354583-B1 DC-88A derivatives KYOWA HAKKO KOGYO KK (JP) 1993-11-03 EP disclosed
US-5248692-A DC-89 derivatives as anti-tumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
US-5214065-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-05-25 US disclosed
US-5117006-A DC-88A DERIVATIVES USEFUL AS ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-26 US disclosed
US-5084468-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-28 US disclosed
EP-0461603-A1 DC-89 derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-18 EP disclosed
EP-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed