SCHEMBL6741084

SCHEMBL6741084

Nc1c(S(=O)(=O)c2ccc(Oc3ccccc3)c(C(=O)O)c2N)ccc(Oc2ccccc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TTR P02766 3/20 0.42
CTNNB1 P35222 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALB P02768 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL21796066 0.82 ADORA2A (0.51) ADORA2ATTRCTNNB1MEN1KMT2A
SCHEMBL6735345 0.81 ADORA2A (0.44) ADORA2AKDM4EHSD17B10TTRCTNNB1
SCHEMBL6308268 0.81 KDM4E (0.46) ADORA2AKDM4EHSD17B10TTRCTNNB1
SCHEMBL714085 0.80 CASP1 (0.46) KDM4EHSD17B10TTRCTNNB1KMT2A
SCHEMBL6741091 0.76 CDC25B (0.41) KDM4EHSD17B10CTNNB1SMN1; SMN2CA2
SCHEMBL690190 0.76 ADORA2A (0.47) ADORA2ATTRCTNNB1MEN1KMT2A
SCHEMBL7764006 0.73 ADORA2A (0.49) ADORA2AKDM4EHSD17B10TTRCTNNB1
SCHEMBL15051973 0.73 SOS1 (0.51) ADORA2ATTRMEN1KMT2AALB
SCHEMBL7799672 0.73 CA12 (0.57) KDM4EHSD17B10TTRCTNNB1KMT2A
SCHEMBL6712174 0.71 MAOB (0.47) ADORA2ACTNNB1MEN1KMT2ASMN1; SMN2

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-6686106-B2 POLYIMIDESILOXANE COPOLYMERS UBE INDUSTRIES, LTD. (JP) 2004-02-03 US disclosed
US-20020001763-A1 Photosensitive resin compositions, insulating films, and processes for formation of the films UBE INDUSTRIES, LTD. 2002-01-03 US disclosed