SCHEMBL8690757

SCHEMBL8690757

COc1ccc([N+](=O)[O-])c2c1CCC(=NO)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 6/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL7655716 0.74 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL355639 0.74 KDM4E (0.55) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL355638 0.74 KDM4E (0.55) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL1449594 0.71 SIRT6 (0.44) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL11753985 0.71 CYP3A4 (0.55) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL11756303 0.71 CYP3A4 (0.55) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL11754612 0.71 CYP3A4 (0.55) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL3607301 0.71 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL15692882 0.70 KDM4E (0.46) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL10446826 0.70 KDM4E (0.46) ALDH1A1HPGDKDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834476-A DERIVATIVE OF CAMPTOTHECIN, ANTITUMOR AGENT, ANTICARCINOGENIC AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5770605-A Method for treating leukemia with a hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-06-23 US disclosed
US-5658920-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5637770-A Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-10 US disclosed
EP-0495432-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1996-05-29 EP disclosed
EP-0495432-A1 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-22 EP disclosed