SCHEMBL7654856

SCHEMBL7654856

COC(=O)CCCc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.46
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44
KDR P35968 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 6/20 0.42
ATM Q13315 1/20 0.41
CTSD P07339 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TXNRD1 Q16881 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL30435368 0.92 ALDH1A1 (0.47) TDP1ALDH1A1LMNAPDGFRBFGFR1
SCHEMBL21824100 0.86 ALDH1A1 (0.59) TDP1ALDH1A1LMNAMAPTATM
SCHEMBL27719772 0.86 PDGFRB (0.56) TDP1ALDH1A1LMNAPDGFRBFGFR1
SCHEMBL25314269 0.83 CHEK1 (0.47) TDP1ALDH1A1LMNAPDGFRBFGFR1
SCHEMBL7655195 0.83 PDGFRB (0.50) TDP1ALDH1A1LMNAPDGFRBFGFR1
SCHEMBL38661659 0.82 CYP1A2 (0.49) TDP1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL2984768 0.82 ALDH1A1 (0.51) TDP1ALDH1A1LMNAPDGFRBFGFR1
SCHEMBL2974692 0.82 HCAR3 (0.53) TDP1ALDH1A1LMNAMAPTMEN1
SCHEMBL1351134 0.81 LMNA (0.55) TDP1ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL4658084 0.81 ALDH1A1 (0.50) TDP1ALDH1A1LMNAPDGFRBFGFR1

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
US-6407115-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION, WATER SOLUBILITY DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-18 US disclosed
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