SCHEMBL29164128

SCHEMBL29164128

COc1ccc2ccccc2c1-c1cc(C=O)cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.43
▸ NQO2 P16083 1/20 0.42
▸ ERN1 O75460 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ TTR P02766 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ NQO1 P15559 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL30203680 0.86 MAPT (0.65) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5963190 0.79 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29678864 0.79 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29512056 0.77 MAPT (0.75) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL12880138 0.77 MAPT (0.75) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29428426 0.76 ERN1 (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29428372 0.75 MAPT (0.61) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL998182 0.75 MAPT (1.00) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL29428410 0.75 MAPT (1.00) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9885254 0.74 ERN1 (0.62) MAPTMEN1KMT2AERN1

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-117105760-A Compound for recognizing chiral histidine, fluorescent probe, preparation method and application thereof 海南大学 2023-11-24 — — CN disclosed
Send feedback