SCHEMBL18293133

SCHEMBL18293133

O=C(NC1=NN1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52
PTPN1 P18031 1/20 0.52
BCAT2 O15382 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SIRT1 Q96EB6 1/20 0.50
PRMT1 Q99873 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL11366112 0.74 ADRA2A (0.50) MEN1KMT2AJAK2TYK2KCNK3
SCHEMBL11831465 0.74 MEN1 (0.64) MEN1KMT2AJAK2TYK2KCNK3
SCHEMBL3299661 0.74 ADORA1 (0.70) MEN1KMT2AJAK2TYK2KCNK3
SCHEMBL126415 0.73 PTPN1 (0.87) MEN1KMT2AJAK2TYK2KCNK3
SCHEMBL1110180 0.73 MDM4 (0.73) MEN1KMT2AKCNK3KCNK9PTPN1
SCHEMBL24202631 0.73 SIRT1 (0.83) MEN1KMT2AJAK2TYK2KCNK3
N-Phenylbenzamide SCHEMBL31966 0.73 SIRT1 (0.83) MEN1KMT2AJAK2TYK2KCNK3
N-Phenylbenzamide SCHEMBL5402750 0.73 SIRT1 (0.83) MEN1KMT2AJAK2TYK2KCNK3
N-Phenylbenzamide SCHEMBL11334226 0.71 SIRT1 (0.80) MEN1KMT2AJAK2TYK2KCNK3
SCHEMBL22305399 0.71 KCNK3 (0.83) MEN1KMT2AKCNK3KCNK9PTPN1

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-2016196646-A1 CANNABINOID RECEPTOR MEDIATING COMPOUNDS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMET OF HEALTH & HUMAN SERVICES (US) 2016-12-08 WO disclosed