SCHEMBL30003807

SCHEMBL30003807

Cc1ccc2c(c1)C[S+]([O-])C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
ACHE P22303 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP1 P09874 1/20 0.32
HTR5A P47898 3/20 0.32
CA1 P00915 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL17190970 1.00 METAP1 (0.37) METAP1CYP1A2CYP2A6ACHESMN1; SMN2
SCHEMBL28433959 0.75 NPC1 (0.32) MAPTRAB9A
SCHEMBL30003708 0.75 NPC1 (0.32) MAPTRAB9A
SCHEMBL21559859 0.74
SCHEMBL15186909 0.73 HTR2C (0.42) METAP1PARP10PARP1TP53ADRA2A
SCHEMBL22271460 0.73 MAPT (0.41) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL28438116 0.73 HTR2A (0.34) ACHEPARP10PARP1HTR5ACA1
SCHEMBL30003803 0.73 PNMT (0.39) METAP1TDP1ADRA2A
SCHEMBL30003816 0.73 ESR1 (0.40)
SCHEMBL30003833 0.73 HTR2A (0.34) ACHEPARP10PARP1HTR5ACA1

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-111527574-B Dispersion composition for producing solid electrolytic capacitor and method for producing solid electrolytic capacitor 昭和电工株式会社 2022-12-09 CN disclosed