SCHEMBL16640500

SCHEMBL16640500

NOc1cccc(ON)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
NLRP1 Q9C000 1/20 0.46
NOD2 Q9HC29 1/20 0.46
CYP3A4 P08684 4/20 0.40
MAOB P27338 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
FURIN P09958 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL8176235 0.87 CYP3A4 (0.60) ALDH1A1SMN1; SMN2CA1CA2CA9
SCHEMBL25718639 0.83
SCHEMBL8115317 0.81
SCHEMBL10323751 0.81
Hydrochloric Acid SCHEMBL28755843 0.81 ALDH1A1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL1260262 0.81
SCHEMBL13715500 0.81
SCHEMBL5016029 0.81
SCHEMBL14450778 0.81 KIF11 (0.47) F10
SCHEMBL5014004 0.79 MAOA (0.50) ALDH1A1CYP3A4MAOBAGXTLTA4H

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-2015052229-A1 REACTIVE FUNCTIONAL SILOXANE COMPOSITIONS MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2015-04-16 WO disclosed