SCHEMBL8975328

SCHEMBL8975328

C[n+]1c2ccccc2c(C(=O)O)c2c(-c3ccccc3)cccc21.O=S(=O)([O-])F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.40
RAB9A P51151 1/20 0.38
RCE1 Q9Y256 1/20 0.38
AGTR1 P30556 2/20 0.34
FOLH1 Q04609 1/20 0.34
PTGS2 P35354 1/20 0.33
KCNA3 P22001 1/20 0.33
TERT O14746 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
SCHEMBL8975331 1.00 ACHE (0.40) ACHERAB9ARCE1AGTR1FOLH1
Bromide SCHEMBL642758 0.90 ACHE (0.46) ACHERAB9ARCE1FOLH1TERT
SCHEMBL3907426 0.87 MYC (0.41) ACHERAB9ATERT
SCHEMBL8975323 0.87 DHODH (0.40) ACHERAB9ARCE1
SCHEMBL8997349 0.84 ACHE (0.44) ACHEAGTR1
SCHEMBL8997331 0.84 ACHE (0.44) ACHEAGTR1
Trifluoromethanesulfonic Acid SCHEMBL6256102 0.80 KCNH2 (0.41) ACHETERT
SCHEMBL3521342 0.79 PSMB8 (0.37)
SCHEMBL374355 0.79 PSMB8 (0.37)
SCHEMBL3893859 0.79

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-0330433-B1 Protected chemiluminescent labels GEN PROBE INC (US) 1996-04-17 EP claimed