SCHEMBL9523960

SCHEMBL9523960

COc1ccc2oc(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
TDP1 Q9NUW8 2/20 0.61
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.53
XDH P47989 1/20 0.50
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.47
FLT3 P36888 1/20 0.47
PKM P14618 1/20 0.47
CYP2C9 P11712 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
SCHEMBL12201092 0.90 POLB (0.53) MAPTTDP1CASP3SENP7ALDH1A1
SCHEMBL13020889 0.86 ALDH1A1 (0.60) MAPTTDP1CASP3SENP7ALDH1A1
SCHEMBL9523638 0.85 MAPT (0.67) MAPTTDP1CASP3SENP7ALDH1A1
SCHEMBL1375690 0.80 HDAC3 (0.55) MAPTTDP1ALDH1A1KDM4ELMNA
SCHEMBL655464 0.79 CA12 (0.56) MAPTLMNAMAOBXDHSMN1; SMN2
SCHEMBL446971 0.79 TAS1R3 (0.64) MAPTTDP1CASP3SENP7ALDH1A1
SCHEMBL27870023 0.78 XDH (0.59) MAPTTDP1ALDH1A1KDM4ELMNA
SCHEMBL729733 0.77 MAOB (0.71) MAPTTDP1ALDH1A1KDM4ELMNA
SCHEMBL31060243 0.75 FLT3 (0.71) MAPTTDP1CASP3SENP7ALDH1A1
SCHEMBL27631823 0.75 MAOB (0.55) MAPTLMNAHTTMAOBXDH

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 4 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-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-0354583-A1 DC-88A derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-02-14 EP disclosed