SCHEMBL7852053

SCHEMBL7852053

Cn1c(C(N)=O)c(-c2ccccc2)c2ncccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.47
PADI4 Q9UM07 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FEN1 P39748 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
EGFR P00533 1/20 0.39
SRC P12931 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
SCHEMBL7854807 0.90 TACR1 (0.48) TACR1PADI4KDM4ELMNAKMT2A
SCHEMBL7850939 0.89 TACR1 (0.52) TACR1KDM4E
SCHEMBL7851720 0.84 TACR1 (0.46) TACR1KDM4EFEN1TDP1
SCHEMBL7841672 0.80 TACR1 (0.52) TACR1
SCHEMBL7850548 0.80 TACR1 (0.63) TACR1KDM4ESMN1; SMN2FEN1
SCHEMBL7851995 0.79 TACR1 (0.62) TACR1KDM4E
SCHEMBL7850487 0.79 TACR1 (0.59) TACR1PADI4KDM4ELMNAKMT2A
SCHEMBL7852343 0.77 TACR1 (0.53) TACR1KDM4EKMT2A
SCHEMBL7851596 0.77 TACR1 (0.52) TACR1KDM4EKMT2A
SCHEMBL7851698 0.77 TACR1 (0.47) TACR1FEN1

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
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed