SCHEMBL22129196

SCHEMBL22129196

CCN1CCCc2c(O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.51
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 1/20 0.40
DRD2 P14416 4/20 0.39
HTR1A P08908 3/20 0.39
DRD1 P21728 1/20 0.39

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
SCHEMBL2271564 0.90 HRH3 (0.41) HRH3DRD2HTR1ADRD1
Bromide SCHEMBL6844504 0.88 HRH3 (0.40) HRH3DRD2HTR1ADRD1
SCHEMBL26605518 0.80 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2A
SCHEMBL12718775 0.80 HRH3 (0.51) HRH3MEN1ALDH1A1KMT2ADRD2
SCHEMBL15787244 0.80 DRD2 (0.47) DRD2HTR1ADRD1
SCHEMBL4703874 0.78 NPC1 (0.41) HRH3BCL2L1BADMEN1ALDH1A1
SCHEMBL7737658 0.78 BCL2L1 (0.43) HRH3BCL2L1BADDRD2HTR1A
SCHEMBL13911374 0.77 BCL2L1 (0.46) BCL2L1BADRETDRD2DRD1
SCHEMBL14202152 0.77 KDM4E (0.55) MEN1ALDH1A1KMT2A
SCHEMBL4701898 0.77 NOTUM (0.44) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111334070-B 532nm excited rhodamine fluorescent dye and preparation method thereof 中国科学院大连化学物理研究所 2021-11-09 CN disclosed
CN-111334070-A 532nm excited rhodamine fluorescent dye and preparation method thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
CN-111334079-A Full-spectrum high-brightness and high-stability fluorescent dye and synthesis and application thereof 中国科学院大连化学物理研究所 2020-06-26 CN disclosed
WO-2020124688-A1 FULL-SPECTRUM HIGH-BRIGHTNESS AND HIGH-STABILITY FLUORESCENT DYES, AND SYNTHESIS AND APPLICATION THEREOF 中国科学院大连化学物理研究所 2020-06-25 WO disclosed
WO-2020124688-A1 FULL-SPECTRUM HIGH-BRIGHTNESS AND HIGH-STABILITY FLUORESCENT DYES, AND SYNTHESIS AND APPLICATION THEREOF 中国科学院大连化学物理研究所 2020-06-25 WO disclosed