SCHEMBL28190458

SCHEMBL28190458

CCCCN1c2ccc(C)cc2SC1C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RGS4 P49798 1/20 0.32
▸ RGS8 P57771 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ TLR8 Q9NR97 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ DRD3 P35462 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL8943206 0.84 MEN1 (0.32) MAPTALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL28890032 0.84 CNR1 (0.31) GAATP53
SCHEMBL6313787 0.80 KDM1A (0.43) ALDH1A1SMN1; SMN2TP53DRD3
SCHEMBL30542467 0.75 NPSR1 (0.34) —
SCHEMBL11515562 0.75 NPSR1 (0.34) —
SCHEMBL21803246 0.75 KDM1A (0.39) ALDH1A1KDM4E
SCHEMBL10602240 0.74 GSK3B (0.41) ALDH1A1KDM4E
SCHEMBL6233173 0.74 GSK3B (0.41) ALDH1A1KDM4E
Iodide SCHEMBL7749127 0.73 GSK3B (0.40) ALDH1A1KDM4E
Iodide SCHEMBL28413314 0.73 GSK3B (0.40) ALDH1A1KDM4E

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-107523088-B A kind of asymmetric side's acid cyanines probe and its preparation method and application based on cyano 常州大学 2019-06-04 — — CN claimed
CN-107523088-A A kind of asymmetric side's acid cyanines probe based on cyano group and its preparation method and application 常州大学 2017-12-29 — — CN claimed
CN-107523088-B A kind of asymmetric side's acid cyanines probe and its preparation method and application based on cyano 常州大学 2019-06-04 — — CN disclosed
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