SCHEMBL28565906

SCHEMBL28565906

O=C(O)c1ccc(-c2cccc(Br)c2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ACMSD Q8TDX5 5/20 0.51
HNF4A P41235 2/20 0.50
MCL1 Q07820 2/20 0.50
DHFR P00374 1/20 0.50
CFD P00746 1/20 0.47
AURKA O14965 1/20 0.47
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
AKR1C4 P17516 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GFER P55789 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DCLRE1B Q9H816 3/20 0.45
DCLRE1A Q6PJP8 1/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL8999909 0.86 ACMSD (0.66) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL1099041 0.86 ACMSD (0.66) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL29395437 0.86 ACMSD (0.66) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL30605782 0.86 ACMSD (0.66) KMT2AACMSDHNF4AMCL1DHFR
Benzene SCHEMBL3623695 0.84 KMT2A (0.60) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL28201920 0.82 AKR1C2 (0.48) KMT2ANPC1RAB9AACMSDHNF4A
SCHEMBL30616786 0.82 ACMSD (0.70) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL68982 0.82 ACMSD (0.70) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL30690398 0.82 KMT2A (0.62) KMT2AACMSDHNF4AMCL1DHFR
SCHEMBL30690397 0.82 KMT2A (0.62) KMT2AACMSDHNF4AMCL1DHFR

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
CN-112812301-A Preparation of soluble polyimide, black soluble polyimide composite glue solution prepared from soluble polyimide, preparation and application of black soluble polyimide composite glue solution 株洲时代新材料科技股份有限公司 2021-05-18 CN claimed
CN-112812301-A Preparation of soluble polyimide, black soluble polyimide composite glue solution prepared from soluble polyimide, preparation and application of black soluble polyimide composite glue solution 株洲时代新材料科技股份有限公司 2021-05-18 CN disclosed