SCHEMBL4459616

SCHEMBL4459616

COc1cc2c(c(OC)c1OC)C(=O)c1c-2n(C)c(=O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
KDR P35968 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM1A O60341 1/20 0.40
RXRA P19793 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NTRK1 P04629 1/20 0.39
LMNA P02545 1/20 0.39
TACR1 P25103 1/20 0.39
CYP19A1 P11511 2/20 0.39
NQO2 P16083 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20944792 0.84 RXRA (0.48) TDP1RXRANTRK1TACR1KDM4E
SCHEMBL20944828 0.73 TDP1 (0.55) TDP1RXRASMN1; SMN2NPC1RAB9A
SCHEMBL16312476 0.73 TDP1 (0.60) TDP1RXRA
SCHEMBL28792529 0.71 RAB9A (0.63) EPHX2TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL25423134 0.70 NTRK1 (0.43) TDP1RXRAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL4459657 0.70 TDP1 (0.44) TDP1RXRASMN1; SMN2TACR1
SCHEMBL20944793 0.69 RXRA (0.45) TDP1RXRABRD4
SCHEMBL20944814 0.68 TDP1 (0.59) KDRTDP1RXRANTRK1ESR1
SCHEMBL20944805 0.68 TDP1 (0.49) TDP1RXRA
SCHEMBL20944809 0.68 TDP1 (0.49) TDP1RXRANPC1

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-2971282-B1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA INC (US) 2018-09-19 EP disclosed
US-20160041175-A1 MICROVESICLE HISTONE H2AX AS A BIOMARKER FOR GENOTOXIC STRESS PIOMA, INC. 2016-02-11 US disclosed
EP-2050452-A1 indenoisoquinolines as topoisomerase inhibitors I useful as antineoplastic agents Purdue Research Foundation (US) 2009-04-22 EP disclosed
US-6509344-B1 A method for treating a patient having cancer, said method comprising the step of administering to the patient an effective amount of a compound according to claim 1, whereupon said patient is treated for cancer, and wherein the cancer is THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-01-21 US disclosed