SCHEMBL9603150

SCHEMBL9603150

OCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.67
HDAC4 P56524 3/20 0.67
HDAC1 Q13547 3/20 0.67
HDAC7 Q8WUI4 3/20 0.67
HDAC2 Q92769 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HDAC9 Q9UKV0 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
KDM1A O60341 9/20 0.64
TOP2A P11388 2/20 0.58
TOP2B Q02880 2/20 0.58
ATM Q13315 1/20 0.57
POLB P06746 3/20 0.56
RAD52 P43351 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56

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
SCHEMBL4293634 0.88 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8006566 0.87 TOP2A (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8005214 0.84 KDM1A (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9603246 0.84 TOP2A (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17154427 0.81 POLB (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL34463738 0.80 TOP2A (0.81) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4292921 0.80 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL902770 0.79 KDM1A (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8889728 0.79 NPY5R (0.70) POLBKMT2AKDM4EMAPTRECQL
SCHEMBL4939506 0.78 KDM1A (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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 3 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
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