SCHEMBL16719662

SCHEMBL16719662

c1cc(-n2cccc2)c2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.52
▸ AXL P30530 2/20 0.52
▸ IDO1 P14902 3/20 0.49
▸ METAP2 P50579 1/20 0.47
▸ METTL3 Q86U44 1/20 0.45
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ WEE1 P30291 1/20 0.40
▸ PKMYT1 Q99640 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ P4HB P07237 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
SCHEMBL15515417 0.75 NOS1 (0.49) NOS1AXLIDO1METAP2TRPV1
SCHEMBL28458675 0.74 TRPV1 (0.49) NOS1AXLIDO1METAP2TRPV1
SCHEMBL26684035 0.73 NOS1 (0.42) NOS1AXLIDO1METAP2METTL3
SCHEMBL12842830 0.73 HTR6 (0.58) NOS1AXLALDH1A1
SCHEMBL28199257 0.71 NOS1 (0.57) NOS1AXLIDO1METAP2JAK2
SCHEMBL16720217 0.70 NOS1 (0.52) NOS1IDO1HSP90AA1CDK2ALDH1A1
SCHEMBL719180 0.70 IDO1 (0.45) NOS1AXLIDO1METAP2METTL3
SCHEMBL26259567 0.70 ALDH1A1 (0.52) ALDH1A1MAPT
SCHEMBL12601112 0.70 NOS1 (0.61) NOS1AXLIDO1METAP2JAK2
SCHEMBL16719806 0.69 ADRB1 (0.54) ALDH1A1MAPT

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 — — EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 — — WO disclosed
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