SCHEMBL8505502

SCHEMBL8505502

NCCCCn1c(=O)c2cccc3ncc(c1=O)n32

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 18/20 0.36
RXRA P19793 3/20 0.36
HASPIN Q8TF76 1/20 0.36
DYRK2 Q92630 1/20 0.36
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35

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
Hydrochloric Acid SCHEMBL7863542 0.99 TDP1 (0.38) TDP1RXRAHASPINDYRK2HEXA
Hydrochloric Acid SCHEMBL7868687 0.86 TDP1 (0.37) TDP1RXRAHEXAHEXB
SCHEMBL7875394 0.76 NPY5R (0.37) TDP1
SCHEMBL7868691 0.76 IDO1 (0.36)
Hydrochloric Acid SCHEMBL7868690 0.75 NR3C1 (0.30)
Hydrochloric Acid SCHEMBL7868709 0.75 IDO1 (0.36)
SCHEMBL7863452 0.74 DRD2 (0.44) TDP1
SCHEMBL7870296 0.71 ALDH1A1 (0.47) TDP1
SCHEMBL8713347 0.68 HTR1A (0.34)
SCHEMBL7863446 0.65 HTT (0.39) TDP1RXRAHASPINDYRK2HEXA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958942-A HAVING EXCELLENT PDGF-INHIBITING ACTIVITIES, ANTIHYPERTENSIVE ACTIVITIES, ACTIVITIES OF AMELIORATING RENAL DISEASES AND ACTIVITIES OF LOWERING LIPID LEVEL. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed