SCHEMBL6555682

SCHEMBL6555682

O=C(O)c1ccc(-c2ccccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CASP6 P55212 1/20 0.58
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
HCAR3 P49019 6/20 0.54
CDC25B P30305 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HPSE Q9Y251 1/20 0.50
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
EIF4E P06730 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL6555690 1.00 POLB (0.59) POLBCASP6TSHRLMNAHCAR3
SCHEMBL28512486 0.88 EIF4E (0.56) POLBCASP6TSHRLMNAHCAR3
Hydrochloric Acid SCHEMBL9784149 0.88 CASP6 (0.62) POLBCASP6TSHRLMNAHCAR3
SCHEMBL11195885 0.87 CASP6 (0.75) CASP6TSHRLMNAHCAR3
SCHEMBL3377807 0.85 CASP6 (0.54) POLBCASP6TSHRLMNAHCAR3
SCHEMBL4439669 0.84 TSHR (0.59) TSHRLMNAKDM4ESMN1; SMN2MAPT
SCHEMBL2772166 0.84 TSHR (0.65) POLBCASP6TSHRLMNAHCAR3
SCHEMBL5216752 0.84 EIF4E (0.56) POLBTSHRLMNACDC25BSMN1; SMN2
SCHEMBL99918 0.83 CASP6 (0.64) POLBCASP6TSHRLMNAHCAR3
SCHEMBL29120749 0.82 MAPT (0.57) TSHRLMNAKDM4ESMN1; SMN2MAPT

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
EP-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed