SCHEMBL16246728

SCHEMBL16246728

N[CH]c1ccc2ccnc(C(N)=O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.38
PLG P00747 4/20 0.37
PLAT P00750 2/20 0.37
IGFBP3 P17936 1/20 0.36
APAF1 O14727 2/20 0.36
NSD2 O96028 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CNR2 P34972 2/20 0.34
BRAF P15056 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 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
SCHEMBL5731210 0.88 IGFBP3 (0.36) PLAUIGFBP3APAF1NSD2CASP3
SCHEMBL6027557 0.76 PLAU (0.64) PLAUPLGPLATIGFBP3APAF1
SCHEMBL9849130 0.74 PLAU (0.38) PLAUPLGPLATIGFBP3APAF1
SCHEMBL111310 0.73 CNR2 (0.53) PLAUPLGKDM4ECNR2HDAC3
SCHEMBL29358323 0.73 CNR2 (0.53) PLAUPLGKDM4ECNR2HDAC3
SCHEMBL9849320 0.72 PLAU (0.44) PLAUPLGPLATIGFBP3APAF1
Naphthalene SCHEMBL10758679 0.71 CNR2 (0.51) PLAUPLGKDM4ECNR2HDAC3
Hydrochloric Acid SCHEMBL4433615 0.71 CNR2 (0.51) PLAUPLGKDM4ECNR2HDAC3
SCHEMBL28236570 0.71 KDM4E (0.49) PLAUL3MBTL1KDM4EMAP2K3LCK
SCHEMBL28198741 0.71 CNR2 (0.51) PLAUPLGKDM4ECNR2HDAC3

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-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO disclosed