SCHEMBL7919786

SCHEMBL7919786

Cc1cc(N2NCCNC2=O)cc(Cl)c1SCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
EGFR P00533 1/20 0.36
MET P08581 1/20 0.36
DAO P14920 3/20 0.36
LMNA P02545 2/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.33
PTGES O14684 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP13 P45452 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL7922604 0.76 GAA (0.40) LMNAMAOAMAOBTP53NPSR1
SCHEMBL7919718 0.74 POLB (0.32) LMNAHPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL7922545 0.74 THRB (0.37) LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL7910301 0.73 POLB (0.34) HPGDPOLB
SCHEMBL7910056 0.72 MEN1 (0.37) DAOLMNAMAOBHPGDHTT
SCHEMBL7919364 0.70 MEN1 (0.46) EGFRHPGDL3MBTL1CYP2C9MAPK1
SCHEMBL7910299 0.68 ALDH1A1 (0.33) LMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL7919214 0.66 KDM1A (0.42) DAOLMNAMAOAMAOBHPGD
SCHEMBL7922620 0.65 MEN1 (0.53) LMNAHPGDHTTNPSR1L3MBTL1
SCHEMBL7844056 0.58 MEN1 (0.35) DAOLMNAHTTALDH1A1POLB

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 4 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
US-5994355-A ANTIPROTOZOA AGENTS, PARASITICIDE; VETERINARY MEDICINE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 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