SCHEMBL7910310

SCHEMBL7910310

O=C1NCCNN1c1ccc(C(CO)c2ccc(Cl)cc2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AR P10275 3/20 0.32
PYGL P06737 1/20 0.32
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CYP3A4 P08684 5/20 0.31
CNR1 P21554 2/20 0.31
CMA1 P23946 1/20 0.30
NOTUM Q6P988 1/20 0.30
MDM2 Q00987 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7917715 0.79 SCN8A (0.34) SCN8ALMNAMAPTKDM4EHTT
SCHEMBL7910299 0.78 ALDH1A1 (0.33) SCN8ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7917746 0.73 SCN8A (0.32) SCN8ALMNAMAPTKDM4EHTT
SCHEMBL7919716 0.71 SCN8A (0.32) SCN8ALMNAMAPTKDM4EHTT
SCHEMBL7919718 0.64 POLB (0.32) LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7919222 0.64 CNR1 (0.33) SCN8ALMNAMAPTKDM4EHTT
SCHEMBL7922620 0.62 MEN1 (0.53) LMNAMAPTHTTSMN1; SMN2NPSR1
SCHEMBL1979065 0.59 TSHR (0.44) LMNACYP3A4CNR1TP53
SCHEMBL7919364 0.59 MEN1 (0.46) MAPTSMN1; SMN2CYP3A4
SCHEMBL7917015 0.59 DRD4 (0.32) LMNANPSR1

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