SCHEMBL9004372

SCHEMBL9004372

CCN(c1ccccc1)c1nc(C)nc(NC)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HCN1 O60741 2/20 0.46
HCN4 Q9Y3Q4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CRHR1 P34998 8/20 0.42
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.37
NR3C2 P08235 1/20 0.37

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
SCHEMBL20000094 0.85 ALDH1A1 (0.50) MAPTCRHBPCRHR2NPSR1CRHR1
SCHEMBL9004420 0.84 MAPT (0.49) MAPTCRHBPCRHR2NPSR1HCN1
SCHEMBL9004390 0.79 MAPT (0.47) MAPTCRHBPCRHR2NPSR1HCN1
SCHEMBL13752166 0.78 MAPT (0.73) MAPTCRHBPCRHR2NPSR1HCN1
SCHEMBL11507984 0.73 TDP1 (0.52) MAPTNPSR1TSHRHSD17B10ALDH1A1
SCHEMBL15100782 0.73 CRHR1 (0.50) MAPTTSHRHSD17B10CRHR1ALDH1A1
SCHEMBL9205898 0.72 HCN1 (0.59) MAPTCRHBPCRHR2NPSR1HCN1
SCHEMBL9593807 0.72 HCN1 (0.58) MAPTCRHBPCRHR2NPSR1HCN1
Iodide SCHEMBL9004425 0.71 HCN1 (0.57) MAPTCRHBPCRHR2NPSR1HCN1
SCHEMBL9004423 0.70 ALDH1A1 (0.63) MAPTCRHBPCRHR2NPSR1HCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 US disclosed
US-20120302486-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2012-11-29 US disclosed
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 US disclosed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP disclosed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US disclosed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP disclosed