SCHEMBL14625835

SCHEMBL14625835

O=C(CCCCCCCCCN(CC(F)(F)F)c1ccc([N+](=O)O)c(C(F)(F)F)c1)N1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
CETP P11597 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 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
SCHEMBL4175159 0.91 AR (0.46) ARCETPMEN1KMT2ANPC1
SCHEMBL4595549 0.78 AR (0.47) ARCETPMEN1KMT2AHPGD
SCHEMBL14625074 0.78 TMEM97 (0.43) SMN1; SMN2
SCHEMBL4595452 0.77 AR (0.48) ARCETPMEN1KMT2A
SCHEMBL14625278 0.77 ACHE (0.44) AR
SCHEMBL4184038 0.69 TMEM97 (0.53) ARSMN1; SMN2
SCHEMBL4619274 0.69 AR (0.46) ARCETP
SCHEMBL4595035 0.69 AR (0.46) ARCETPNPC1HPGDRAB9A
SCHEMBL4172806 0.69 ACHE (0.45) ARSMN1; SMN2
SCHEMBL4595143 0.66 AR (0.44) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed