SCHEMBL7653031

SCHEMBL7653031

O=C(O)CCCc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
F13A1 P00488 3/20 0.41
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GRIA2 P42262 1/20 0.39
ACLY P53396 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SNCA P37840 1/20 0.38
CTSD P07339 1/20 0.37
FBP1 P09467 2/20 0.37

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
SCHEMBL38661659 0.84 CYP1A2 (0.49) CYP1A2ALDH1A1TDP1F13A1LMNA
SCHEMBL26343277 0.80 CYP1A2 (0.58) CYP1A2ALDH1A1TDP1LMNAATM
SCHEMBL3633360 0.80 MEN1 (0.39) CYP1A2ALDH1A1TDP1LMNAATM
SCHEMBL4197255 0.79 CYP1A2 (0.71) CYP1A2ALDH1A1TDP1LMNAHPGD
SCHEMBL14342901 0.78 ALOX15 (0.51) CYP1A2ALDH1A1TDP1F13A1LMNA
SCHEMBL8848662 0.78 SNCA (0.57) CYP1A2ALDH1A1TDP1F13A1LMNA
SCHEMBL30427892 0.78 F13A1 (0.50) CYP1A2F13A1MEN1KMT2AFFAR1
SCHEMBL536350 0.78 F13A1 (0.50) CYP1A2F13A1MEN1KMT2AFFAR1
SCHEMBL27956759 0.78 ALDH1A1 (0.47) CYP1A2ALDH1A1TDP1LMNAHPGD
SCHEMBL7407867 0.78 CTSD (0.57) CYP1A2ALDH1A1TDP1LMNAHPGD

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