SCHEMBL7922545

SCHEMBL7922545

Cc1cc(N2NCCNC2=O)cc(Cl)c1Oc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPBWR1 P48145 7/20 0.36
LTA4H P09960 2/20 0.35
MCHR1 Q99705 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7919718 0.76 POLB (0.32) LMNAALDH1A1SMN1; SMN2
SCHEMBL7919786 0.74 DHODH (0.36) LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL7919364 0.73 MEN1 (0.46) THRBALDH1A1SMN1; SMN2PTGS2
SCHEMBL7922604 0.71 GAA (0.40) LMNANPSR1
SCHEMBL11832550 0.68 NTRK1 (0.39) THRBNPBWR1MCHR1SMN1; SMN2
SCHEMBL7910299 0.68 ALDH1A1 (0.33) LMNAALDH1A1SMN1; SMN2
SCHEMBL7922620 0.68 MEN1 (0.53) LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL11716855 0.64 ALDH1A1 (0.39) THRBLMNAALDH1A1NPBWR1MCHR1
SCHEMBL9504425 0.64 NPBWR1 (0.35) LMNAALDH1A1NPBWR1MCHR1SMN1; SMN2
SCHEMBL9502409 0.63 THRB (0.44) THRBALDH1A1

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
US-6211178-B1 ANTIPROTOZOA AGENTS FOR COCCIDIOIDES; CYCLIZATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
EP-0648760-B1 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-01-27 EP disclosed
EP-0648760-A2 Triazine derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-19 EP disclosed