SCHEMBL8438877

SCHEMBL8438877

Cc1cc(-n2ncc(=S)[nH]c2=O)cc(Cl)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 7/20 0.38
MAPT P10636 1/20 0.37
P2RX7 Q99572 3/20 0.36
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7917755 0.89 MEN1 (0.53) MEN1KMT2ANR1I2THRBP2RX7
SCHEMBL5566665 0.80 MEN1 (0.58) MEN1KMT2ANR1I2THRBP2RX7
SCHEMBL7917028 0.75 MEN1 (0.69) MEN1KMT2ANR1I2NPSR1THRB
SCHEMBL7922440 0.74 KMT2A (0.41) MEN1KMT2ANR1I2NPSR1THRB
SCHEMBL5561613 0.70 MEN1 (0.52) MEN1KMT2ANR1I2THRBMAPT
SCHEMBL6479192 0.70 KMT2A (0.50) MEN1KMT2ANR1I2P2RX7HTT
SCHEMBL7472949 0.70 MEN1 (0.51) MEN1KMT2ANR1I2THRBP2RX7
SCHEMBL6701530 0.69 MEN1 (0.45) MEN1KMT2ANR1I2THRBP2RX7
SCHEMBL7919391 0.69 NPSR1 (0.38) MEN1KMT2ANPSR1MAPTHTT
SCHEMBL7264062 0.67 HPGD (0.49) MEN1KMT2ANPSR1MAPTHTT

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-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