SCHEMBL8006566

SCHEMBL8006566

OCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.70
TOP2B Q02880 3/20 0.70
KDM1A O60341 9/20 0.68
HDAC3 O15379 3/20 0.65
HDAC4 P56524 3/20 0.65
HDAC1 Q13547 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC2 Q92769 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
ATM Q13315 1/20 0.60
POLB P06746 3/20 0.59
RAD52 P43351 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59

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
SCHEMBL9594932 0.88 KDM1A (0.65) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL9594083 0.88 KDM1A (0.67) TOP2ATOP2BKDM1A
SCHEMBL9603150 0.87 HDAC3 (0.67) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL9594504 0.84 KDM1A (0.69) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL9594389 0.84 KDM1A (0.69) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL3985866 0.83 TOP2A (1.00) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL4293634 0.82 HDAC3 (0.61) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL902770 0.82 KDM1A (1.00) TOP2ATOP2BKDM1AHDAC3HDAC4
SCHEMBL4939506 0.81 KDM1A (0.75) KDM1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL8005214 0.81 KDM1A (0.69) TOP2ATOP2BKDM1AHDAC3HDAC4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 WO claimed
EP-0804414-A4 COMPLEMENTARY DNA AND TOXINS SLOAN KETTERING INST CANCER (US) 2000-04-12 EP disclosed
EP-0804414-A1 COMPLEMENTARY DNA AND TOXINS Sloan-Kettering Institute For Cancer Research (US) 1997-11-05 EP disclosed
US-5652350-A Complementary DNA and toxins SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-07-29 US disclosed
US-5571937-A VIRICIDES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-11-05 US disclosed
WO-1995031434-A1 COMPLEMENTARY DNA AND TOXINS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1995-11-23 WO disclosed
US-5229395-A Potential anticancer agents derived from acridine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-07-20 US disclosed
WO-1991005770-A1 POTENTIAL ANTICANCER AGENTS DERIVED FROM ACRIDINE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1991-05-02 WO disclosed