SCHEMBL7010809

SCHEMBL7010809

CSc1nc2c(ccn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 3/20 0.46
RXFP1 Q9HBX9 2/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC4 P56524 2/20 0.42
MAPT P10636 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
FYN P06241 1/20 0.41
SRC P12931 1/20 0.41
FLT3 P36888 1/20 0.41
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
TSHR P16473 1/20 0.41
DNMT1 P26358 1/20 0.41
LMNA P02545 1/20 0.40
ATM Q13315 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
SCHEMBL7011627 0.81 TP53 (0.48) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7018715 0.79 TP53 (0.48) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7017888 0.78 TP53 (0.47) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7019303 0.76 TP53 (0.46) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7014404 0.76 TP53 (0.46) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7014812 0.76 SRC (0.49) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7019301 0.76 TP53 (0.45) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL4017812 0.74 KMT2A (0.43) KMT2ARXFP1MAPTESR1TSHR
SCHEMBL7014759 0.74 SRC (0.48) TP53TDP1KMT2ARXFP1HDAC1
SCHEMBL7020160 0.73 SRC (0.46) TP53TDP1KMT2ARXFP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed