SCHEMBL10360322

SCHEMBL10360322

CC(Oc1ncn(-c2cccc(C(F)(F)F)c2)n1)C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
NOTUM Q6P988 3/20 0.40
EPHX2 P34913 1/20 0.39
NPY5R Q15761 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MGLL Q99685 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL10360302 0.88 NOTUM (0.43) RXRAGRIN1GRIN2BNOTUMEPHX2
SCHEMBL10361148 0.87 NOTUM (0.44) RXRAGRIN1GRIN2BNOTUMEPHX2
SCHEMBL10361126 0.87 BCHE (0.36) GRIN1GRIN2BKMT2AMEN1MAPT
SCHEMBL10360343 0.86 HSD17B10 (0.45) RXRAGRIN1GRIN2BNOTUMEPHX2
SCHEMBL10361078 0.85 PKM (0.40) NOTUMPOLBKMT2AMEN1MAPT
SCHEMBL10361130 0.85 KCNJ6 (0.40) RXRAGRIN1GRIN2BNOTUMEPHX2
SCHEMBL10360325 0.85 RXRA (0.40) RXRAGRIN1GRIN2BNOTUMEPHX2
SCHEMBL10360316 0.84 ALDH1A1 (0.43) RXRAGRIN1GRIN2BNOTUMPOLB
SCHEMBL10361173 0.82 ACACB (0.45) RXRAGRIN1GRIN2BNOTUMCYP1A2
SCHEMBL10361307 0.75 MAPT (0.37) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP disclosed