SCHEMBL7917040

SCHEMBL7917040

N#CC(Cc1ccc(Cl)cc1)c1c(Cl)cc(NN)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
CTSC P53634 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 12/20 0.34
CNR2 P34972 9/20 0.34

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
SCHEMBL11856310 0.80 SLC6A2 (0.43) SLC6A4CTSCSLC6A2SLC6A3ESR1
SCHEMBL7843623 0.74 MEN1 (0.45) SLC6A3MEN1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28619070 0.73 MEN1 (0.44) SLC6A3MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL11862705 0.72 ESR1 (0.48) SLC6A4CTSCSLC6A2SLC6A3ESR1
SCHEMBL5163915 0.71 ESR2 (0.56) SLC6A4SLC6A2SLC6A3ESR1ESR2
SCHEMBL7836753 0.69 HSP90AB1 (0.39) SLC6A4SLC6A2SLC6A3MEN1ALDH1A1
SCHEMBL11853606 0.69 CCR1 (0.45) SLC6A4CTSCSLC6A2SLC6A3ESR1
SCHEMBL7917739 0.69 MEN1 (0.39) SLC6A3MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL4657515 0.66 SLC6A4 (0.52) SLC6A4CTSCSLC6A2SLC6A3ESR1
SCHEMBL5054960 0.65 ESR2 (0.56) SLC6A4SLC6A2SLC6A3ESR1ESR2

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