SCHEMBL21390637

SCHEMBL21390637

C=CCc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cccc(-c7ccccc7)c6)c5)nc(-c5ccccn5)n4)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC2A1 P11166 1/20 0.44
HIF1A Q16665 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KLF5 Q13887 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM5 P41594 4/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGER2 P43116 1/20 0.40

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
SCHEMBL21390726 0.99 KDM4E (0.46) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390635 0.90 KDM4E (0.47) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390622 0.89 HIF1A (0.47) KDM4ETDP1SLC2A1HIF1ASMN1; SMN2
SCHEMBL21390739 0.85 PTGS2 (0.43) KDM4ETDP1SMN1; SMN2LMNAALDH1A1
SCHEMBL21481327 0.84 KDM4E (0.60) KDM4ETDP1HIF1ASMN1; SMN2LMNA
SCHEMBL13154546 0.82 KDM4E (0.62) KDM4ETDP1HIF1ASMN1; SMN2LMNA
SCHEMBL21390737 0.82 MAPT (0.41) SMN1; SMN2RAB9AMAPTTSHRHSD17B10
SCHEMBL21390636 0.81 CYP2A6 (0.46) KDM4ETDP1HIF1ASMN1; SMN2LMNA
SCHEMBL21390641 0.81 IDH1 (0.43) KDM4ESMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21390585 0.81 IDH1 (0.43) KDM4ESMN1; SMN2LMNAALDH1A1MAPT

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed