SCHEMBL9404995

SCHEMBL9404995

CC(Oc1cccc([N+](=O)[O-])c1)C(=O)O.O=C1CN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4998342 0.91 LMNA (0.54) LMNAMEN1MAPTKMT2AF2
SCHEMBL9404963 0.81 CHRNB2 (0.43) F2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL27771387 0.79 LMNA (0.54) LMNAMEN1MAPTKMT2AF2
SCHEMBL27941740 0.77 TDP1 (0.49) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL27679166 0.77 ALDH1A1 (0.59) LMNAMEN1MAPTKMT2AF2
SCHEMBL657614 0.77 ALDH1A1 (0.59) LMNAMEN1MAPTKMT2AF2
SCHEMBL20299326 0.76 TSHR (0.52) LMNAF2ALDH1A1TP53SMN1; SMN2
SCHEMBL27612334 0.76 CHRNB2 (0.51) LMNAMEN1MAPTKMT2AF2
SCHEMBL7671999 0.76 TSHR (0.55) LMNAMEN1MAPTKMT2AF2
SCHEMBL30283493 0.75 ALDH1A1 (0.61) LMNAMEN1MAPTKMT2AALDH1A1

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-0296597-B1 Hexa-cyclic compound DAIICHI SEIYAKU CO (JP) 1994-09-21 EP disclosed
US-5061795-A ANTITUMOR AGENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-10-29 US disclosed
US-4939255-A Hexa-cyclic camptothecin derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-07-03 US disclosed
EP-0296597-A2 Hexa-cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1988-12-28 EP disclosed