SCHEMBL29067124

SCHEMBL29067124

CCCN1c2ccccc2Sc2cc(C=O)c(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
PDF Q9HBH1 1/20 0.43
SMPD1 P17405 2/20 0.43
KDM1A O60341 5/20 0.42
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL31020994 0.93 KDM1A (0.48) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL28863743 0.90 MAPT (0.44) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL29372977 0.84 MEN1 (0.38) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL29067126 0.84 MEN1 (0.38) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL31297935 0.84 MAOA (0.51) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL29067127 0.83 PDF (0.50) MEN1KMT2AMAPTMAPK1TP53
SCHEMBL31020997 0.80 MAPT (0.43) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL31021015 0.79 KDM1A (0.46) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL29376040 0.77 PDF (0.48) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL25842328 0.77 PDF (0.48) MEN1KMT2AMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014887-B Rhodanine fluorescent probe compound for detecting fluoride ions and preparation method thereof 贵州仁威生物科技有限责任公司 2023-07-21 CN claimed
CN-114014887-A Rhodanine fluorescent probe compound for detecting fluorine ions and preparation method thereof 贵州仁威生物科技有限责任公司 2022-02-08 CN claimed
CN-114014887-B Rhodanine fluorescent probe compound for detecting fluoride ions and preparation method thereof 贵州仁威生物科技有限责任公司 2023-07-21 CN disclosed
CN-114014887-A Rhodanine fluorescent probe compound for detecting fluorine ions and preparation method thereof 贵州仁威生物科技有限责任公司 2022-02-08 CN disclosed