SCHEMBL28598017

SCHEMBL28598017

O=C(O)c1ccc2c(c1)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1cc(C(=O)O)ccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.56
SRD5A1 P18405 1/20 0.56
TSHR P16473 2/20 0.41
TTR P02766 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RECQL P46063 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
POLB P06746 3/20 0.40
PTPRC P08575 2/20 0.40
PDK2 Q15119 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL10039534 0.92 SRD5A2 (0.49) SRD5A2SRD5A1TTRKMT2APOLB
SCHEMBL14681787 0.92 SRD5A2 (0.49) SRD5A2SRD5A1TTRKMT2APOLB
SCHEMBL5846588 0.89 TSHR (0.50) SRD5A2SRD5A1TSHRTTRKMT2A
SCHEMBL21333830 0.86 SRD5A2 (0.53) SRD5A2SRD5A1TTRKMT2AMEN1
SCHEMBL437007 0.80 PDK2 (0.47) PTPRCPDK2TDP1CA1CA2
SCHEMBL29404184 0.80 PDK2 (0.47) PTPRCPDK2TDP1CA1CA2
SCHEMBL4253936 0.80 PDK2 (0.50) SRD5A2SRD5A1POLBPTPRCPDK2
SCHEMBL5846670 0.80 PDK2 (0.55) SRD5A2SRD5A1TTRKMT2APOLB
SCHEMBL2456262 0.80 PDK2 (0.55) SRD5A2SRD5A1TTRKMT2APOLB
SCHEMBL31151124 0.80 PDK2 (0.55) SRD5A2SRD5A1TTRKMT2APOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113201118-A Phenanthroimidazole-based red light polymer material and preparation method thereof 广州万物物联科技有限公司 2021-08-03 CN disclosed
CN-113185540-A Red electroluminescent micromolecule and preparation method thereof 广州万物物联科技有限公司 2021-07-30 CN disclosed
CN-113122239-A Phenanthroimidazole-based red light electroluminescent material and preparation method thereof 广州万物物联科技有限公司 2021-07-16 CN disclosed