SCHEMBL30442907

SCHEMBL30442907

CCC(CCCCBr)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ NR1I2 O75469 1/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ C1S P09871 1/20 0.33

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
SCHEMBL18891619 0.87 CYP1A2 (0.40) ALDH1A1MAPTHTTNPSR1IDO1
SCHEMBL18426652 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHTTNPSR1IDO1
SCHEMBL27636259 0.80 IDO1 (0.36) IDO1TDO2SLC6A2SLC6A4GLS
SCHEMBL20746911 0.80 CYP1A2 (0.45) NPSR1IDO1TDO2NR1I2CYP2D6
SCHEMBL23169104 0.80 CYP1A2 (0.45) NPSR1IDO1TDO2NR1I2CYP2D6
SCHEMBL20072419 0.79 CYP1A2 (0.44) NPSR1IDO1TDO2NR1I2CYP2D6
SCHEMBL21142421 0.77 CYP2D6 (0.40) ALDH1A1MAPTHTTNPSR1IDO1
SCHEMBL5775168 0.76 IDO1 (0.42) ALDH1A1MAPTHTTNPSR1IDO1
SCHEMBL22306322 0.75 IDO1 (0.41) ALDH1A1IDO1TDO2SLC6A2SLC6A4
SCHEMBL19384718 0.75 SIGMAR1 (0.43) ALDH1A1NR1I2SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284693-A Benzothiazole derivative-based fluorescent polymer and preparation method and application thereof 浙江工业大学 2023-06-23 — — CN disclosed
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