SCHEMBL1991845

SCHEMBL1991845

c1ccc(-c2ccnc(-c3cccc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
TP53 P04637 4/20 0.64
CCR1 P32246 3/20 0.64
CCR5 P51681 3/20 0.64
CCR8 P51685 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
ALOX15 P16050 2/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALPL P05186 1/20 0.64
HSP90AA1 P07900 1/20 0.64
ALPI P09923 1/20 0.64
ALPG P10696 1/20 0.64
MAPK1 P28482 1/20 0.64
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 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
SCHEMBL15024091 0.95 KDM4E (0.67) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL6419906 0.93 KDM4E (0.58) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL30606847 0.93 KDM4E (0.58) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL31635769 0.91 KDM4E (0.62) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL4367769 0.91 KDM4E (0.62) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL22428447 0.91 KDM4E (0.52) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL18679980 0.90 KDM4E (0.55) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL13202961 0.89 KDM4E (0.69) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL26503490 0.89 KDM4E (0.58) KDM4ELMNASMN1; SMN2TP53CCR1
SCHEMBL28057386 0.88 CCR1 (0.58) KDM4ELMNASMN1; SMN2TP53CCR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
US-10724903-B2 Polymer encapsulated particles as surface enhanced Raman scattering probes NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-28 US disclosed
CN-105949471-A Zn (II) coordination polymer as well as preparation method and application thereof 河南科技学院 2016-09-21 CN disclosed
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-20110151586-A1 POLYMER ENCAPSULATED PARTICLES AS SURFACE ENHANCED RAMAN SCATTERING PROBES Nanyang Technological Yniversity 2011-06-23 US disclosed
WO-2009142604-A1 POLYMER ENCAPSULATED PARTICLES AS SURFACE ENHANCED RAMAN SCATTERING PROBES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-11-26 WO disclosed
US-5387719-A Preparation of aldehydes BASF AKTIENGESELLSCHAFT (DE) 1995-02-07 US disclosed