SCHEMBL7922604

SCHEMBL7922604

O=C1NCCNN1c1cc(Cl)c(Sc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
RECQL P46063 2/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.32
HTR1A P08908 3/20 0.32
HTR3A P46098 3/20 0.32
PTGIR P43119 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 2/20 0.32
XBP1 P17861 1/20 0.32

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
SCHEMBL9501084 0.80 MEN1 (0.42) GAAMEN1KMT2ALMNACYP3A4
SCHEMBL7919786 0.76 DHODH (0.36) LMNACYP2C9CYP2C19MAOAMAOB
SCHEMBL7922620 0.72 MEN1 (0.53) GAAMEN1KMT2ALMNACYP2C9
SCHEMBL7910299 0.72 ALDH1A1 (0.33) GAAMEN1KMT2ALMNAKDM4E
SCHEMBL7917515 0.71 GAA (0.39) GAAMEN1KMT2ALMNACYP3A4
SCHEMBL7919718 0.71 POLB (0.32) GAAMEN1KMT2ALMNAKDM4E
SCHEMBL7922545 0.71 THRB (0.37) LMNANPSR1
SCHEMBL9504429 0.70 MEN1 (0.38) GAAMEN1KMT2ALMNACYP3A4
SCHEMBL9501160 0.70 LMNA (0.36) GAAMEN1KMT2ALMNAMAPK1
SCHEMBL7910217 0.69 GAA (0.43) GAAMEN1KMT2ALMNACYP3A4

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