SCHEMBL13123779

SCHEMBL13123779

COc1oc(C)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MAPT P10636 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MMP13 P45452 3/20 0.43
APP P05067 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
GSK3B P49841 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL10339343 0.80 KMT2A (0.89) KMT2AMAPTALDH1A1MMP2MMP9
SCHEMBL4311399 0.79 KMT2A (0.63) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5698593 0.75 KMT2A (1.00) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7799104 0.71 KMT2A (0.72) KMT2A
SCHEMBL18449581 0.68 APP (0.60) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL223767 0.67 MAPT (0.65) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9057124 0.67 KMT2A (0.40) KMT2AMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29376197 0.67 KMT2A (0.49) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4258701 0.67 KMT2A (0.63) KMT2AMAPTNPC1RAB9ASMN1; SMN2
Methoxymethane SCHEMBL27637909 0.67 HSD17B10 (0.67) MAPTSMN1; SMN2ALDH1A1ACHEHSD17B10

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
US-7790877-B2 Antisense oligonucleotides with increased RNase sensitivity GEN-PROBE, INCORPORATED (US) 2010-09-07 US disclosed