SCHEMBL25680741

SCHEMBL25680741

CC1(S)C=Cc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
PARP1 P09874 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ABCB11 O95342 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 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
SCHEMBL1697644 0.79 PARP1 (0.36) MAOBPARP1CA1CA2ALDH1A1
SCHEMBL23781284 0.76 PARP1 (0.34) MAOBPARP1CA1CA2ALDH1A1
SCHEMBL13816705 0.76 PARP1 (0.34) MAOBPARP1CA1CA2
SCHEMBL5133900 0.76 PARP1 (0.34) MAOBPARP1CA1CA2
SCHEMBL2288761 0.74 PARP1 (0.39) MAOBPARP1CA1CA2TSHR
SCHEMBL9549356 0.72 PTGS1 (0.32) MAOBPARP1CA1CA2HTR2A
SCHEMBL1725344 0.71 PARP1 (0.36) MAOBPARP1CA1CA2CYP1A2
SCHEMBL7882155 0.71 PARP1 (0.36) MAOBPARP1CA1CA2HTR2C
SCHEMBL258234 0.71 PARP1 (0.36) MAOBPARP1CA1CA2HTR2C
SCHEMBL31520302 0.71 PARP1 (0.36) MAOBPARP1CA1CA2HTR2C

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
EP-4186708-A1 ON-MACHINE-DEVELOPING-TYPE PLANOGRAPHIC PRINTING PLATE ORIGINAL PLATE, METHOD FOR MANUFACTURING PLANOGRAPHIC PRINTING PLATE, AND PLANOGRAPHIC PRINTING METHOD FUJIFILM Corporation (JP) 2023-05-31 EP disclosed