SCHEMBL28565012

SCHEMBL28565012

O=C(O)c1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.82
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
TDP1 Q9NUW8 1/20 0.70
KDM4E B2RXH2 1/20 0.66
CHEK2 O96017 1/20 0.60
MAPK1 P28482 2/20 0.58
POLB P06746 2/20 0.58
MCL1 Q07820 1/20 0.56
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYOC Q99972 1/20 0.55
PLA2G4B P0C869 1/20 0.55
HSPB1 P04792 1/20 0.54
LPAR1 Q92633 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
LPAR3 Q9UBY5 1/20 0.52
CES1 P23141 2/20 0.52

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
SCHEMBL28561063 0.95 SRD5A2 (0.90) SRD5A2MEN1KMT2ATDP1KDM4E
SCHEMBL6623045 0.95 SRD5A2 (0.90) SRD5A2MEN1KMT2ATDP1KDM4E
SCHEMBL628405 0.89 TDP1 (0.88) SRD5A2MEN1KMT2ATDP1MAPK1
Hydrochloric Acid SCHEMBL8991893 0.88 TDP1 (0.84) SRD5A2MEN1KMT2ATDP1MAPK1
SCHEMBL9137849 0.86 SRD5A2 (0.75) SRD5A2MEN1KMT2ATDP1KDM4E
SCHEMBL3208134 0.86 HSPB1 (0.70) SRD5A2MEN1KMT2AKDM4EMAPK1
SCHEMBL28051442 0.86 HSPB1 (0.70) SRD5A2MEN1KMT2AKDM4EMAPK1
SCHEMBL31202650 0.84 PARP15 (0.69) SRD5A2KMT2AMAPTRAB9APARP15
SCHEMBL30307442 0.84 PARP15 (0.69) SRD5A2KMT2AMAPTRAB9APARP15
SCHEMBL2748100 0.84 PARP15 (0.69) SRD5A2KMT2AMAPTRAB9APARP15

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
CN-112110860-A Imidazolyl-containing wholly aromatic non-sulfonated diamine monomer and preparation method thereof 常州大学 2020-12-22 CN disclosed