SCHEMBL9426554

SCHEMBL9426554

Cc1cc2c(c(C)c1-c1ccccc1)c(C(=O)O)c1ccccc1[n+]2C.O=S(=O)([O-])F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.43
RPA1 P27694 1/20 0.34
MCL1 Q07820 1/20 0.34
TSHR P16473 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HPGD P15428 1/20 0.33
AGTR1 P30556 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL9426552 1.00 ACHE (0.43) ACHERPA1MCL1TSHRPDE10A
SCHEMBL3905894 0.85 ACHE (0.47) ACHERPA1MCL1HPGDALDH1A1
SCHEMBL8997331 0.79 ACHE (0.44) ACHEPDE10AHPGDAGTR1ALDH1A1
SCHEMBL8997349 0.79 ACHE (0.44) ACHEPDE10AHPGDAGTR1ALDH1A1
SCHEMBL8975331 0.78 ACHE (0.40) ACHEAGTR1
SCHEMBL8975328 0.78 ACHE (0.40) ACHEAGTR1
SCHEMBL3907426 0.78 MYC (0.41) ACHERPA1MCL1ALDH1A1MAPT
SCHEMBL3907425 0.77 ALDH1A1 (0.36) ACHEHPGDAGTR1ALDH1A1MAPT
SCHEMBL3898776 0.75 DHODH (0.33) ACHEHPGDAGTR1ALDH1A1MAPT
SCHEMBL3904727 0.72 TDP1 (0.34) HPGDAGTR1ALDH1A1MAPT

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
US-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US disclosed