SCHEMBL6893920

SCHEMBL6893920

Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
DHODH Q02127 1/20 0.37
GP6 Q9HCN6 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTPN5 P54829 1/20 0.35

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
SCHEMBL13525158 0.88 ALDH1A1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4655029 0.86 GP6 (0.49) GP6MEN1KMT2ANPC1KDM4E
SCHEMBL6893249 0.86 DCUN1D1 (0.43) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL12761250 0.86 GP6 (0.37) GP6MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL513232 0.84 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL184092 0.84 DCUN1D1 (0.44) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL673067 0.83 ESR1 (0.57) MEN1KMT2AESR1
SCHEMBL16158539 0.83 TP53 (0.41) GP6
Hydrochloric Acid SCHEMBL28614073 0.82 DCUN1D1 (0.43) NR1H2NR1H3MEN1KMT2ASMN1; SMN2
SCHEMBL794341 0.79 PFKFB4 (0.54) NPC1RAB9APOLB

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
US-6723798-B1 COMBINATORIAL CHEMISTRY; HYDROXYPHENYLALKYL VINYL ETHER LINKING GROUP TO DIVINYLBENZENE-STYRENE POLYMER KOREAN RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-04-20 US disclosed
WO-2002018455-A1 RESINS HAVING VINYL ETHER LINKER FOR THE SOLID PHASE ORGANIC SYNTHESIS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-03-07 WO disclosed